2-[3-bromanyl-1-(2,3-dimethoxyphenyl)-2-oxidanylidene-cyclohexyl]ethyl-dimethyl-azanium bromide

Systemtic Name: 2-[3-bromanyl-1-(2,3-dimethoxyphenyl)-2-oxidanylidene-cyclohexyl]ethyl-dimethyl-azanium bromide Openeye Name: 2-[3-bromo-1-(2,3-dimethoxyphenyl)-2-oxo-cyclohexyl]ethyl-dimethyl-ammonium bromide CAS Name: 2-[3-bromo-1-(2,3-dimethoxyphenyl)-2-oxocyclohexyl]ethyl-dimethylammonium bromide IUPAC Name: 2-[3-bromo-1-(2,3-dimethoxyphenyl)-2-oxocyclohexyl]ethyl-dimethylazanium bromide Traditional Name: 2-[3-bromo-1-(2,3-dimethoxyphenyl)-2-keto-cyclohexyl]ethyl-dimethyl-ammonium bromide Formula: C18H27Br2NO3 MolecularWeight: 465.21988

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1(CCCC(C1=O)Br)C2=C(C(=CC=C2)OC)OC.[Br-]

Isomeric SMILES

C[NH+](C)CCC1(CCCC(C1=O)Br)C2=C(C(=CC=C2)OC)OC.[Br-]

InChI

InChI=1S/C18H26BrNO3.BrH/c1-20(2)12-11-18(10-6-8-14(19)17(18)21)13-7-5-9-15(22-3)16(13)23-4;/h5,7,9,14H,6,8,10-12H2,1-4H3;1H