dimethyl-(phenylmethyl)-tetradecyl-azanium chloride dihydrate

Systemtic Name: dimethyl-(phenylmethyl)-tetradecyl-azanium chloride dihydrate Openeye Name: benzyl-dimethyl-tetradecyl-ammonium chloride dihydrate CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium chloride dihydrate IUPAC Name: benzyl-dimethyl-tetradecylazanium chloride dihydrate Traditional Name: benzyl-dimethyl-myristyl-ammonium chloride dihydrate Formula: C23H46ClNO2 MolecularWeight: 404.06984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-]

InChI

InChI=1S/C23H42N.ClH.2H2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;;;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H;2*1H2/q+1;;;/p-1