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

Systemtic Name: 1-(2-ethylhexyl)-3,3,5-trimethyl-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-1-(2-ethylhexyl)-3,3,5-trimethyl-azepan-1-ium CAS Name: 1-(2-ethylhexyl)-3,3,5-trimethyl-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-1-(2-ethylhexyl)-3,3,5-trimethylazepan-1-ium Traditional Name: 1-benzyl-1-(2-ethylhexyl)-3,3,5-trimethyl-azepan-1-ium Formula: C24H42N+ MolecularWeight: 344.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42N/c1-6-8-12-22(7-2)18-25(19-23-13-10-9-11-14-23)16-15-21(3)17-24(4,5)20-25/h9-11,13-14,21-22H,6-8,12,15-20H2,1-5H3/q+1