dimethyl-(1-oxidanylidene-1-phenylmethoxy-dodecan-2-yl)-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-(1-oxidanylidene-1-phenylmethoxy-dodecan-2-yl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(1-benzyloxycarbonylundecyl)-dimethyl-ammonium chloride CAS Name: dimethyl-(1-oxo-1-phenylmethoxydodecan-2-yl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dimethyl-(1-oxo-1-phenylmethoxydodecan-2-yl)azanium chloride Traditional Name: benzyl-(1-carbobenzoxyundecyl)-dimethyl-ammonium chloride Formula: C28H42ClNO2 MolecularWeight: 460.09158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OCC1=CC=CC=C1)[N+](C)(C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCC(C(=O)OCC1=CC=CC=C1)[N+](C)(C)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C28H42NO2.ClH/c1-4-5-6-7-8-9-10-17-22-27(28(30)31-24-26-20-15-12-16-21-26)29(2,3)23-25-18-13-11-14-19-25;/h11-16,18-21,27H,4-10,17,22-24H2,1-3H3;1H/q+1;/p-1