2-[(4-acetamidophenyl)carbonyl-[2-(diethylamino)-2-oxidanylidene-ethyl]amino]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[(4-acetamidophenyl)carbonyl-[2-(diethylamino)-2-oxidanylidene-ethyl]amino]ethyl-diethyl-azanium chloride Openeye Name: 2-[(4-acetamidobenzoyl)-[2-(diethylamino)-2-oxo-ethyl]amino]ethyl-diethyl-ammonium chloride CAS Name: 2-[[(4-acetamidophenyl)-oxomethyl]-[2-(diethylamino)-2-oxoethyl]amino]ethyl-diethylammonium chloride IUPAC Name: 2-[(4-acetamidobenzoyl)-[2-(diethylamino)-2-oxoethyl]amino]ethyl-diethylazanium chloride Traditional Name: 2-[(4-acetamidobenzoyl)-[2-(diethylamino)-2-keto-ethyl]amino]ethyl-diethyl-ammonium chloride Formula: C21H35ClN4O3 MolecularWeight: 426.9806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3.ClH/c1-6-23(7-2)14-15-25(16-20(27)24(8-3)9-4)21(28)18-10-12-19(13-11-18)22-17(5)26;/h10-13H,6-9,14-16H2,1-5H3,(H,22,26);1H