(3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-prop-2-ynylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-prop-2-ynylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol Openeye Name: (3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-prop-2-ynylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol CAS Name: (3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-prop-2-ynyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-prop-2-ynylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol Traditional Name: (3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-propargylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol Formula: C35H56N2O2+2 MolecularWeight: 536.83134

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2O)[N+]4(CCCCC4)CC#C)CCC5C3(CC(C(C5)O)[N+]6(CCCCC6)CC#C)C

Isomeric SMILES

C[C@]12CCC3C(C1CC([C@@H]2O)[N+]4(CCCCC4)CC#C)CC[C@@H]5[C@@]3(CC([C@H](C5)O)[N+]6(CCCCC6)CC#C)C

InChI

InChI=1S/C35H56N2O2/c1-5-17-36(19-9-7-10-20-36)30-24-29-27-14-13-26-23-32(38)31(37(18-6-2)21-11-8-12-22-37)25-35(26,4)28(27)15-16-34(29,3)33(30)39/h1-2,26-33,38-39H,7-25H2,3-4H3/q+2/t26-,27?,28?,29?,30?,31?,32-,33-,34-,35-/m0/s1