(2,6-dimethyl-4-phenyl-heptan-4-yl)-(2-ethoxyethyl)-dimethyl-azanium chloride

Systemtic Name: (2,6-dimethyl-4-phenyl-heptan-4-yl)-(2-ethoxyethyl)-dimethyl-azanium chloride Openeye Name: 2-ethoxyethyl-(1-isobutyl-3-methyl-1-phenyl-butyl)-dimethyl-ammonium chloride CAS Name: (2,6-dimethyl-4-phenylheptan-4-yl)-(2-ethoxyethyl)-dimethylammonium chloride IUPAC Name: (2,6-dimethyl-4-phenylheptan-4-yl)-(2-ethoxyethyl)-dimethylazanium chloride Traditional Name: 2-ethoxyethyl-(1-isobutyl-3-methyl-1-phenyl-butyl)-dimethyl-ammonium chloride Formula: C21H38ClNO MolecularWeight: 355.98552

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[N+](C)(C)C(CC(C)C)(CC(C)C)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCOCC[N+](C)(C)C(CC(C)C)(CC(C)C)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C21H38NO.ClH/c1-8-23-15-14-22(6,7)21(16-18(2)3,17-19(4)5)20-12-10-9-11-13-20;/h9-13,18-19H,8,14-17H2,1-7H3;1H/q+1;/p-1