[(3S,8R,9S,10R,13S,14S,17S)-17-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methyl-azanium dichloride

Systemtic Name: [(3S,8R,9S,10R,13S,14S,17S)-17-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methyl-azanium dichloride Openeye Name: [(3S,8R,9S,10R,13S,14S,17S)-17-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methyl-ammonium dichloride CAS Name: [(3S,8R,9S,10R,13S,14S,17S)-17-ammonio-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methylammonium dichloride IUPAC Name: [(3S,8R,9S,10R,13S,14S,17S)-17-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methylazanium dichloride Traditional Name: [(3S,8R,9S,10R,13S,14S,17S)-17-ammonio-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methyl-ammonium dichloride Formula: C20H36Cl2N2 MolecularWeight: 375.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2[NH3+])CC=C4C3(CCC(C4)[NH2+]C)C.[Cl-].[Cl-]

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[NH3+])CC=C4[C@@]3(CC[C@@H](C4)[NH2+]C)C.[Cl-].[Cl-]

InChI

InChI=1S/C20H34N2.2ClH/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19;;/h4,14-18,22H,5-12,21H2,1-3H3;2*1H/t14-,15-,16-,17-,18-,19-,20-;;/m0../s1