1-butyl-3,3,5-trimethyl-1-(phenylmethyl)azepan-1-ium

Systemtic Name: 1-butyl-3,3,5-trimethyl-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-1-butyl-3,3,5-trimethyl-azepan-1-ium CAS Name: 1-butyl-3,3,5-trimethyl-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-1-butyl-3,3,5-trimethylazepan-1-ium Traditional Name: 1-benzyl-1-butyl-3,3,5-trimethyl-azepan-1-ium Formula: C20H34N+ MolecularWeight: 288.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC(C1)(C)C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCC[N+]1(CCC(CC(C1)(C)C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H34N/c1-5-6-13-21(16-19-10-8-7-9-11-19)14-12-18(2)15-20(3,4)17-21/h7-11,18H,5-6,12-17H2,1-4H3/q+1