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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC(C1)(C)C)(CC2=CC=CC=C2)CC(C)C(C)C

Isomeric SMILES

CC1CC[N+](CC(C1)(C)C)(CC2=CC=CC=C2)CC(C)C(C)C

InChI

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