[(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylazaniumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethyl-azanium diiodide

Systemtic Name: [(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylazaniumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethyl-azanium diiodide Openeye Name: [(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylammonio)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethyl-ammonium diiodide CAS Name: [(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylammonio)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethylammonium diiodide IUPAC Name: [(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylazaniumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethylazanium diiodide Traditional Name: [(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylammonio)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethyl-ammonium diiodide Formula: C25H48I2N2 MolecularWeight: 630.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4[N+](C)(C)C)C)[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(C)C)C)[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C25H48N2.2HI/c1-24-15-13-19(26(3,4)5)17-18(24)9-10-20-21-11-12-23(27(6,7)8)25(21,2)16-14-22(20)24;;/h18-23H,9-17H2,1-8H3;2*1H/q+2;;/p-2/t18-,19+,20-,21?,22?,23+,24-,25-;;/m0../s1