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

Systemtic Name: 1-(2-methoxypropyl)-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-1-(2-methoxypropyl)azepan-1-ium CAS Name: 1-(2-methoxypropyl)-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-1-(2-methoxypropyl)azepan-1-ium Traditional Name: 1-benzyl-1-(2-methoxypropyl)azepan-1-ium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28NO/c1-16(19-2)14-18(12-8-3-4-9-13-18)15-17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,12-15H2,1-2H3/q+1