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

Systemtic Name: (1-ethoxy-1-oxidanylidene-dodecan-2-yl)-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(1-ethoxycarbonylundecyl)-dimethyl-ammonium chloride CAS Name: (1-ethoxy-1-oxododecan-2-yl)-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(1-ethoxy-1-oxododecan-2-yl)-dimethylazanium chloride Traditional Name: benzyl-(1-carbethoxyundecyl)-dimethyl-ammonium chloride Formula: C23H40ClNO2 MolecularWeight: 398.0222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO2.ClH/c1-5-7-8-9-10-11-12-16-19-22(23(25)26-6-2)24(3,4)20-21-17-14-13-15-18-21;/h13-15,17-18,22H,5-12,16,19-20H2,1-4H3;1H/q+1;/p-1