(3S,8R,9S,10R,13S,14S,16S)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Systemtic Name: (3S,8R,9S,10R,13S,14S,16S)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one Openeye Name: (3S,8R,9S,10R,13S,14S,16S)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one CAS Name: (3S,8R,9S,10R,13S,14S,16S)-3-hydroxy-10,13-dimethyl-16-(1-methyl-1-piperidin-1-iumyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one IUPAC Name: (3S,8R,9S,10R,13S,14S,16S)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one Traditional Name: (3S,8R,9S,10R,13S,14S,16S)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one Formula: C25H40NO2+ MolecularWeight: 386.5906

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)[N+]5(CCCCC5)C)C)O

Isomeric SMILES

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)[N+]5(CCCCC5)C)C)O

InChI

InChI=1S/C25H40NO2/c1-24-11-9-18(27)15-17(24)7-8-19-20(24)10-12-25(2)21(19)16-22(23(25)28)26(3)13-5-4-6-14-26/h7,18-22,27H,4-6,8-16H2,1-3H3/q+1/t18-,19+,20-,21-,22-,24-,25-/m0/s1