1-(10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene-(pyridin-4-ylcarbonylamino)azanium

Systemtic Name: 1-(10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene-(pyridin-4-ylcarbonylamino)azanium Openeye Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene-(pyridine-4-carbonylamino)ammonium CAS Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene-[[oxo(pyridin-4-yl)methyl]amino]ammonium IUPAC Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene-(pyridine-4-carbonylamino)azanium Traditional Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene-isonicotinamido-ammonium Formula: C27H40N3O2+ MolecularWeight: 438.6254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]NC(=O)C1=CC=NC=C1)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C

Isomeric SMILES

CC(=[NH+]NC(=O)C1=CC=NC=C1)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C

InChI

InChI=1S/C27H39N3O2/c1-17(29-30-25(32)18-10-14-28-15-11-18)22-6-7-23-21-5-4-19-16-20(31)8-12-26(19,2)24(21)9-13-27(22,23)3/h10-11,14-15,19-24,31H,4-9,12-13,16H2,1-3H3,(H,30,32)/p+1