1-(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(3-methylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(3-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(3-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(3-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(3-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(3-methylpyridin-1-ium-1-yl)ethanone Formula: C27H38NO2+ MolecularWeight: 408.59612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC(=O)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(=O)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

InChI

InChI=1S/C27H38NO2/c1-18-5-4-14-28(16-18)17-25(30)24-9-8-22-21-7-6-19-15-20(29)10-12-26(19,2)23(21)11-13-27(22,24)3/h4-6,14,16,20-24,29H,7-13,15,17H2,1-3H3/q+1