3-ethyl-3-(3-methoxyphenyl)-1-methyl-azepan-1-ium bromide

Systemtic Name: 3-ethyl-3-(3-methoxyphenyl)-1-methyl-azepan-1-ium bromide Openeye Name: 3-ethyl-3-(3-methoxyphenyl)-1-methyl-azepan-1-ium bromide CAS Name: 3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-1-ium bromide IUPAC Name: 3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-1-ium bromide Traditional Name: 3-ethyl-3-(3-methoxyphenyl)-1-methyl-azepan-1-ium bromide Formula: C16H26BrNO MolecularWeight: 328.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO.BrH/c1-4-16(10-5-6-11-17(2)13-16)14-8-7-9-15(12-14)18-3;/h7-9,12H,4-6,10-11,13H2,1-3H3;1H