[2-azanyl-3-[methyl(phenyl)carbamoyl]-4-oxidanylidene-pentadecan-3-yl]-dimethyl-azanium chloride

Systemtic Name: [2-azanyl-3-[methyl(phenyl)carbamoyl]-4-oxidanylidene-pentadecan-3-yl]-dimethyl-azanium chloride Openeye Name: [1-(1-aminoethyl)-1-[methyl(phenyl)carbamoyl]-2-oxo-tridecyl]-dimethyl-ammonium chloride CAS Name: [2-amino-3-[(N-methylanilino)-oxomethyl]-4-oxopentadecan-3-yl]-dimethylammonium chloride IUPAC Name: [2-amino-3-[methyl(phenyl)carbamoyl]-4-oxopentadecan-3-yl]-dimethylazanium chloride Traditional Name: [1-(1-aminoethyl)-2-keto-1-[methyl(phenyl)carbamoyl]tridecyl]-dimethyl-ammonium chloride Formula: C25H44ClN3O2 MolecularWeight: 454.08876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N3O2.ClH/c1-6-7-8-9-10-11-12-13-17-20-23(29)25(21(2)26,27(3)4)24(30)28(5)22-18-15-14-16-19-22;/h14-16,18-19,21H,6-13,17,20,26H2,1-5H3;1H