dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)-(3-oxidanylidenetetradecan-2-yl)azanium; methanamine; chloride

Systemtic Name: dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)-(3-oxidanylidenetetradecan-2-yl)azanium; methanamine; chloride Openeye Name: (2-anilino-2-oxo-ethyl)-dimethyl-(1-methyl-2-oxo-tridecyl)ammonium; methanamine; chloride CAS Name: (2-anilino-2-oxoethyl)-dimethyl-(3-oxotetradecan-2-yl)ammonium; methanamine; chloride IUPAC Name: (2-anilino-2-oxoethyl)-dimethyl-(3-oxotetradecan-2-yl)azanium; methanamine; chloride Traditional Name: (2-anilino-2-keto-ethyl)-(2-keto-1-methyl-tridecyl)-dimethyl-ammonium; methylamine; chloride Formula: C25H46ClN3O2 MolecularWeight: 456.10464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C)[N+](C)(C)CC(=O)NC1=CC=CC=C1.CN.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C)[N+](C)(C)CC(=O)NC1=CC=CC=C1.CN.[Cl-]

InChI

InChI=1S/C24H40N2O2.CH5N.ClH/c1-5-6-7-8-9-10-11-12-16-19-23(27)21(2)26(3,4)20-24(28)25-22-17-14-13-15-18-22;1-2;/h13-15,17-18,21H,5-12,16,19-20H2,1-4H3;2H2,1H3;1H