2-[(3-chlorophenyl)-methyl-amino]ethyl-hexyl-dimethyl-azanium chloride

Systemtic Name: 2-[(3-chlorophenyl)-methyl-amino]ethyl-hexyl-dimethyl-azanium chloride Openeye Name: 2-(3-chloro-N-methyl-anilino)ethyl-hexyl-dimethyl-ammonium chloride CAS Name: 2-(3-chloro-N-methylanilino)ethyl-hexyl-dimethylammonium chloride IUPAC Name: 2-(3-chloro-N-methylanilino)ethyl-hexyl-dimethylazanium chloride Traditional Name: 2-(3-chloro-N-methyl-anilino)ethyl-hexyl-dimethyl-ammonium chloride Formula: C17H30Cl2N2 MolecularWeight: 333.3395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30ClN2.ClH/c1-5-6-7-8-13-20(3,4)14-12-19(2)17-11-9-10-16(18)15-17;/h9-11,15H,5-8,12-14H2,1-4H3;1H/q+1;/p-1