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

Systemtic Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium Openeye Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium CAS Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium IUPAC Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium Traditional Name: 1-methyl-1-(4-phenylbutyl)azepan-1-ium Formula: C17H28N+ MolecularWeight: 246.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N/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/q+1