3,3,5-trimethyl-1-(2-methylpentyl)-1-(phenylmethyl)azepan-1-ium

Systemtic Name: 3,3,5-trimethyl-1-(2-methylpentyl)-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-3,3,5-trimethyl-1-(2-methylpentyl)azepan-1-ium CAS Name: 3,3,5-trimethyl-1-(2-methylpentyl)-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-3,3,5-trimethyl-1-(2-methylpentyl)azepan-1-ium Traditional Name: 1-benzyl-3,3,5-trimethyl-1-(2-methylpentyl)azepan-1-ium Formula: C22H38N+ MolecularWeight: 316.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N/c1-6-10-20(3)16-23(17-21-11-8-7-9-12-21)14-13-19(2)15-22(4,5)18-23/h7-9,11-12,19-20H,6,10,13-18H2,1-5H3/q+1