[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride

Systemtic Name: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride Openeye Name: (2-anilino-2-oxo-ethyl)-[4-(2,6-dimethylanilino)-4-oxo-butyl]-dimethyl-ammonium chloride CAS Name: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylammonium chloride IUPAC Name: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium chloride Traditional Name: (2-anilino-2-keto-ethyl)-[4-(2,6-dimethylanilino)-4-keto-butyl]-dimethyl-ammonium chloride Formula: C22H30ClN3O2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCC[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCC[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C22H29N3O2.ClH/c1-17-10-8-11-18(2)22(17)24-20(26)14-9-15-25(3,4)16-21(27)23-19-12-6-5-7-13-19;/h5-8,10-13H,9,14-16H2,1-4H3,(H-,23,24,26,27);1H