1-[(2-azanyl-3-oxidanylidene-hexadecan-2-yl)amino]propyl-trimethyl-azanium chloride

Systemtic Name: 1-[(2-azanyl-3-oxidanylidene-hexadecan-2-yl)amino]propyl-trimethyl-azanium chloride Openeye Name: 1-[(1-amino-1-methyl-2-oxo-pentadecyl)amino]propyl-trimethyl-ammonium chloride CAS Name: 1-[(2-amino-3-oxohexadecan-2-yl)amino]propyl-trimethylammonium chloride IUPAC Name: 1-[(2-amino-3-oxohexadecan-2-yl)amino]propyl-trimethylazanium chloride Traditional Name: 1-[(1-amino-2-keto-1-methyl-pentadecyl)amino]propyl-trimethyl-ammonium chloride Formula: C22H48ClN3O MolecularWeight: 406.08902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C)(N)NC(CC)[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C)(N)NC(CC)[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C22H48N3O.ClH/c1-7-9-10-11-12-13-14-15-16-17-18-19-20(26)22(3,23)24-21(8-2)25(4,5)6;/h21,24H,7-19,23H2,1-6H3;1H/q+1;/p-1