1-methyl-1-(4-phenylbutyl)azepan-1-ium bromide

Systemtic Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium bromide Openeye Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium bromide CAS Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium bromide IUPAC Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium bromide Traditional Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium bromide Formula: C17H28BrN MolecularWeight: 326.31492

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCCCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1(CCCCCC1)CCCCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H28N.BrH/c1-18(14-8-2-3-9-15-18)16-10-7-13-17-11-5-4-6-12-17;/h4-6,11-12H,2-3,7-10,13-16H2,1H3;1H/q+1;/p-1