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

Systemtic Name: (17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) pyridin-1-ium-3-carboxylate Openeye Name: (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) pyridin-1-ium-3-carboxylate CAS Name: 3-pyridin-1-iumcarboxylic acid (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) pyridin-1-ium-3-carboxylate Traditional Name: pyridin-1-ium-3-carboxylic acid (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester Formula: C27H38NO3+ MolecularWeight: 424.59552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C5=C[NH+]=CC=C5)C)C

Isomeric SMILES

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C5=C[NH+]=CC=C5)C)C

InChI

InChI=1S/C27H37NO3/c1-17(29)22-8-9-23-21-7-6-19-15-20(31-25(30)18-5-4-14-28-16-18)10-12-26(19,2)24(21)11-13-27(22,23)3/h4-5,14,16,19-24H,6-13,15H2,1-3H3/p+1