(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) 1-methylpyridin-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) 1-methylpyridin-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) 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-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) 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-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: C28H40NO3+ MolecularWeight: 438.6221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40NO3/c1-18(30)23-9-10-24-22-8-7-20-16-21(32-26(31)19-6-5-15-29(4)17-19)11-13-27(20,2)25(22)12-14-28(23,24)3/h5-6,15,17,20-25H,7-14,16H2,1-4H3/q+1