dimethyl-octyl-(11-oxidanylidene-11-phenoxy-undecyl)azanium

Systemtic Name: dimethyl-octyl-(11-oxidanylidene-11-phenoxy-undecyl)azanium Openeye Name: dimethyl-octyl-(11-oxo-11-phenoxy-undecyl)ammonium CAS Name: dimethyl-octyl-(11-oxo-11-phenoxyundecyl)ammonium IUPAC Name: dimethyl-octyl-(11-oxo-11-phenoxyundecyl)azanium Traditional Name: (11-keto-11-phenoxy-undecyl)-dimethyl-octyl-ammonium Formula: C27H48NO2+ MolecularWeight: 418.67552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)OC1=CC=CC=C1

InChI

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