[2-(hexadecylamino)-2-oxidanylidene-ethyl]-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: [2-(hexadecylamino)-2-oxidanylidene-ethyl]-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-(hexadecylamino)-2-oxo-ethyl]-dimethyl-ammonium chloride CAS Name: [2-(hexadecylamino)-2-oxoethyl]-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-(hexadecylamino)-2-oxoethyl]-dimethylazanium chloride Traditional Name: benzyl-[2-(cetylamino)-2-keto-ethyl]-dimethyl-ammonium chloride Formula: C27H49ClN2O MolecularWeight: 453.14376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-27(30)25-29(2,3)24-26-21-18-17-19-22-26;/h17-19,21-22H,4-16,20,23-25H2,1-3H3;1H