1-(2-butoxypropyl)-1-(phenylmethyl)azepan-1-ium

Systemtic Name: 1-(2-butoxypropyl)-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-1-(2-butoxypropyl)azepan-1-ium CAS Name: 1-(2-butoxypropyl)-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-1-(2-butoxypropyl)azepan-1-ium Traditional Name: 1-benzyl-1-(2-butoxypropyl)azepan-1-ium Formula: C20H34NO+ MolecularWeight: 304.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)C[N+]1(CCCCCC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCOC(C)C[N+]1(CCCCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H34NO/c1-3-4-16-22-19(2)17-21(14-10-5-6-11-15-21)18-20-12-8-7-9-13-20/h7-9,12-13,19H,3-6,10-11,14-18H2,1-2H3/q+1