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

Systemtic Name: 4-[10,13-dimethyl-16-(1-prop-2-ynylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]morpholine bromide Openeye Name: 4-[10,13-dimethyl-16-(1-prop-2-ynylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]morpholine bromide CAS Name: 4-[10,13-dimethyl-16-(1-prop-2-ynyl-1-pyrrolidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]morpholine bromide IUPAC Name: 4-[10,13-dimethyl-16-(1-prop-2-ynylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]morpholine bromide Traditional Name: 4-[10,13-dimethyl-16-(1-propargylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]morpholine bromide Formula: C30H49BrN2O MolecularWeight: 533.62686

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2)[N+]4(CCCC4)CC#C)CCC5C3(CCC(C5)N6CCOCC6)C.[Br-]

Isomeric SMILES

CC12CCC3C(C1CC(C2)[N+]4(CCCC4)CC#C)CCC5C3(CCC(C5)N6CCOCC6)C.[Br-]

InChI

InChI=1S/C30H49N2O.BrH/c1-4-15-32(16-5-6-17-32)25-21-28-26-8-7-23-20-24(31-13-18-33-19-14-31)9-12-30(23,3)27(26)10-11-29(28,2)22-25;/h1,23-28H,5-22H2,2-3H3;1H/q+1;/p-1