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

Systemtic Name: (1-hexoxy-1-oxidanylidene-dodecan-2-yl)-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(1-hexoxycarbonylundecyl)-dimethyl-ammonium chloride CAS Name: (1-hexoxy-1-oxododecan-2-yl)-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(1-hexoxy-1-oxododecan-2-yl)-dimethylazanium chloride Traditional Name: benzyl-(1-hexoxycarbonylundecyl)-dimethyl-ammonium chloride Formula: C27H48ClNO2 MolecularWeight: 454.12852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO2.ClH/c1-5-7-9-11-12-13-14-18-22-26(27(29)30-23-19-10-8-6-2)28(3,4)24-25-20-16-15-17-21-25;/h15-17,20-21,26H,5-14,18-19,22-24H2,1-4H3;1H/q+1;/p-1