2-(8-bromanyl-5,6-dimethoxy-3-oxidanylidene-1,2,4,9,10,10a-hexahydrophenanthren-4a-yl)ethyl-trimethyl-azanium

Systemtic Name: 2-(8-bromanyl-5,6-dimethoxy-3-oxidanylidene-1,2,4,9,10,10a-hexahydrophenanthren-4a-yl)ethyl-trimethyl-azanium Openeye Name: 2-(8-bromo-5,6-dimethoxy-3-oxo-1,2,4,9,10,10a-hexahydrophenanthren-4a-yl)ethyl-trimethyl-ammonium CAS Name: 2-(8-bromo-5,6-dimethoxy-3-oxo-1,2,4,9,10,10a-hexahydrophenanthren-4a-yl)ethyl-trimethylammonium IUPAC Name: 2-(8-bromo-5,6-dimethoxy-3-oxo-1,2,4,9,10,10a-hexahydrophenanthren-4a-yl)ethyl-trimethylazanium Traditional Name: 2-(8-bromo-3-keto-5,6-dimethoxy-1,2,4,9,10,10a-hexahydrophenanthren-4a-yl)ethyl-trimethyl-ammonium Formula: C21H31BrNO3+ MolecularWeight: 425.37974

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC12CC(=O)CCC1CCC3=C(C=C(C(=C23)OC)OC)Br

Isomeric SMILES

C[N+](C)(C)CCC12CC(=O)CCC1CCC3=C(C=C(C(=C23)OC)OC)Br

InChI

InChI=1S/C21H31BrNO3/c1-23(2,3)11-10-21-13-15(24)8-6-14(21)7-9-16-17(22)12-18(25-4)20(26-5)19(16)21/h12,14H,6-11,13H2,1-5H3/q+1