dodecyl-dimethyl-(phenylmethyl)azanium chloride hydrate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium chloride hydrate Openeye Name: benzyl-dodecyl-dimethyl-ammonium chloride hydrate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium chloride hydrate IUPAC Name: benzyl-dodecyl-dimethylazanium chloride hydrate Traditional Name: benzyl-lauryl-dimethyl-ammonium chloride hydrate Formula: C21H40ClNO MolecularWeight: 358.0014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.ClH.H2O/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H;1H2/q+1;;/p-1