(10R,13S,17S)-10,13-dimethyl-17-(1-methylpyrrolidin-1-ium-1-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one iodide

Systemtic Name: (10R,13S,17S)-10,13-dimethyl-17-(1-methylpyrrolidin-1-ium-1-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one iodide Openeye Name: (10R,13S,17S)-10,13-dimethyl-17-(1-methylpyrrolidin-1-ium-1-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one iodide CAS Name: (10R,13S,17S)-10,13-dimethyl-17-(1-methyl-1-pyrrolidin-1-iumyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one iodide IUPAC Name: (10R,13S,17S)-10,13-dimethyl-17-(1-methylpyrrolidin-1-ium-1-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one iodide Traditional Name: (10R,13S,17S)-10,13-dimethyl-17-(1-methylpyrrolidin-1-ium-1-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one iodide Formula: C24H38INO MolecularWeight: 483.46909

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2[N+]4(CCCC4)C)CCC5=CC(=O)CCC35C.[I-]

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2[N+]4(CCCC4)C)CCC5=CC(=O)CC[C@]35C.[I-]

InChI

InChI=1S/C24H38NO.HI/c1-23-12-10-18(26)16-17(23)6-7-19-20-8-9-22(25(3)14-4-5-15-25)24(20,2)13-11-21(19)23;/h16,19-22H,4-15H2,1-3H3;1H/q+1;/p-1/t19?,20?,21?,22-,23-,24-;/m0./s1