[(4-dimethylaminophenyl)carbonylamino]-(2-methyl-3-propyl-tridecan-2-yl)azanium chloride

Systemtic Name: [(4-dimethylaminophenyl)carbonylamino]-(2-methyl-3-propyl-tridecan-2-yl)azanium chloride Openeye Name: [[4-(dimethylamino)benzoyl]amino]-(1,1-dimethyl-2-propyl-dodecyl)ammonium chloride CAS Name: [[(4-dimethylaminophenyl)-oxomethyl]amino]-(2-methyl-3-propyltridecan-2-yl)ammonium chloride IUPAC Name: [[4-(dimethylamino)benzoyl]amino]-(2-methyl-3-propyltridecan-2-yl)azanium chloride Traditional Name: [[4-(dimethylamino)benzoyl]amino]-(1,1-dimethyl-2-propyl-dodecyl)ammonium chloride Formula: C26H48ClN3O MolecularWeight: 454.13182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC)C(C)(C)[NH2+]NC(=O)C1=CC=C(C=C1)N(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCC(CCC)C(C)(C)[NH2+]NC(=O)C1=CC=C(C=C1)N(C)C.[Cl-]

InChI

InChI=1S/C26H47N3O.ClH/c1-7-9-10-11-12-13-14-15-17-23(16-8-2)26(3,4)28-27-25(30)22-18-20-24(21-19-22)29(5)6;/h18-21,23,28H,7-17H2,1-6H3,(H,27,30);1H