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

Systemtic Name: dimethyl-[2-(octadecylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-dimethyl-[2-(octadecylamino)-2-oxo-ethyl]ammonium chloride CAS Name: dimethyl-[2-(octadecylamino)-2-oxoethyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dimethyl-[2-(octadecylamino)-2-oxoethyl]azanium chloride Traditional Name: benzyl-[2-keto-2-(stearylamino)ethyl]-dimethyl-ammonium chloride Formula: C29H53ClN2O MolecularWeight: 481.19692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30-29(32)27-31(2,3)26-28-23-20-19-21-24-28;/h19-21,23-24H,4-18,22,25-27H2,1-3H3;1H