Molecular Structure of 16,19-Secostrychnidine-10,16-dione, 19-methyl- (CAS NO.5525-31-5):

Systematic Name: (4aR,6aS,12aS,12bR,12cS)-15-Methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione 
Molecular Weight: 364.43756 [g/mol]
Molecular Formula: C₂₂H₂₄N₂O₃
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 4
Rotatable Bond Count: 0
Tautomer Count: 4
Exact Mass: 364.178693
MonoIsotopic Mass: 364.178693
Topological Polar Surface Area: 49.8
Heavy Atom Count: 27
Complexity: 733 
Index of Refraction: 1.674
Molar Refractivity: 99.96 cm³
Molar Volume: 266 cm³
Surface Tension: 63.4 dyne/cm
Density: 1.36 g/cm³
Flash Point: 316 °C
Enthalpy of Vaporization: 89.17 kJ/mol
Boiling Point: 598.9 °C at 760 mmHg
Vapour Pressure: 2.64E-14 mmHg at 25 °C
SMILES: O=C2C[C@H]5\C6=C/CO[C@H]4CC(=O)N3c1ccccc1[C@]2([C@@H]3[C@H]45)CCN(C)C6
InChI: InChI=1/C22H24N2O3/c1-23-8-7-22-15-4-2-3-5-16(15)24-19(26)11-17-20(21(22)24)14(10-18(22)25)13(12-23)6-9-27-17/h2-6,14,17,20-21H,7-12H2,1H3/t14-,17-,20-,21-,22+/m0/s1
InChIKey: RNZRHJNFQWMXHB-ZXXLSYNSBG

  16,19-Secostrychnidine-10,16-dione, 19-methyl- (CAS NO.5525-31-5), its Synonyms are Icajine ; 19-Methyl-16,19-secostrychinidine-10,16-dione ; 16-Hydroxy-19-methyl-10-oxostrychnidinium ; Strychnidinium, 16-hydroxy-19-methyl-10-oxo- .