Pyridinium, 1-butyl-3-(p-(p-((p-((1-butylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate

Base Information

• Chemical Name: Pyridinium, 1-butyl-3-(p-(p-((p-((1-butylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate
• CAS No.: 19060-45-8
• Molecular Formula: C42H44N6O4•2C7H7O3S
• Molecular Weight: 1039.32
• ChEMBL ID: CHEMBL3230643
• Mol file: 19060-45-8.mol

Synonyms:19060-45-8;Pyridinium, 1-butyl-3-(p-(p-((p-((1-butylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate;4-[(E)-3-[4-[(1-butylpyridin-1-ium-3-yl)carbamoyl]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-butylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzamide;4-methylbenzenesulfonate;C42H44N6O4.2C7H7O3S;C42-H44-N6-O4.2C7-H7-O3-S;CHEMBL3230643;LS-132286

Chemical Property of Pyridinium, 1-butyl-3-(p-(p-((p-((1-butylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 1038.36558442
• Heavy Atom Count: 74
• Complexity: 1350

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
• Isomeric SMILES: CCCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]