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

Systemtic Name: 1-(2-methylpropyl)-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-1-isobutyl-azepan-1-ium CAS Name: 1-(2-methylpropyl)-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-1-(2-methylpropyl)azepan-1-ium Traditional Name: 1-benzyl-1-isobutyl-azepan-1-ium Formula: C17H28N+ MolecularWeight: 246.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N/c1-16(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