5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-prop-2-enyl-pyrrolidin-1-ium-3-ol bromide

Systemtic Name: 5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-prop-2-enyl-pyrrolidin-1-ium-3-ol bromide Openeye Name: 1-allyl-5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)pyrrolidin-1-ium-3-ol bromide CAS Name: 5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-prop-2-enyl-3-pyrrolidin-1-iumol bromide IUPAC Name: 5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-prop-2-enylpyrrolidin-1-ium-3-ol bromide Traditional Name: 1-allyl-5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)pyrrolidin-1-ium-3-ol bromide Formula: C26H44BrNO MolecularWeight: 466.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2)C4CC(C[NH+]4CC=C)O)CCC5C3(CCCC5)C.[Br-]

Isomeric SMILES

CC12CCC3C(C1CC(C2)C4CC(C[NH+]4CC=C)O)CCC5C3(CCCC5)C.[Br-]

InChI

InChI=1S/C26H43NO.BrH/c1-4-13-27-17-20(28)15-24(27)18-14-23-21-9-8-19-7-5-6-11-26(19,3)22(21)10-12-25(23,2)16-18;/h4,18-24,28H,1,5-17H2,2-3H3;1H