dimethyl-octadecyl-(phenylmethyl)azanium chloride hydrate

Systemtic Name: dimethyl-octadecyl-(phenylmethyl)azanium chloride hydrate Openeye Name: benzyl-dimethyl-octadecyl-ammonium chloride hydrate CAS Name: dimethyl-octadecyl-(phenylmethyl)ammonium chloride hydrate IUPAC Name: benzyl-dimethyl-octadecylazanium chloride hydrate Traditional Name: benzyl-dimethyl-stearyl-ammonium chloride hydrate Formula: C27H52ClNO MolecularWeight: 442.16088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N.ClH.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H;1H2/q+1;;/p-1