[3-(diethylazaniumyl)-1-[(2-ethoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-diethyl-azanium dichloride

Systemtic Name: [3-(diethylazaniumyl)-1-[(2-ethoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-diethyl-azanium dichloride Openeye Name: [2-(diethylammonio)-3-(2-ethoxycarbonylanilino)-3-oxo-propyl]-diethyl-ammonium dichloride CAS Name: [3-(diethylammonio)-1-(2-ethoxycarbonylanilino)-1-oxopropan-2-yl]-diethylammonium dichloride IUPAC Name: [3-(diethylazaniumyl)-1-(2-ethoxycarbonylanilino)-1-oxopropan-2-yl]-diethylazanium dichloride Traditional Name: [3-(2-carbethoxyanilino)-2-(diethylammonio)-3-keto-propyl]-diethyl-ammonium dichloride Formula: C20H35Cl2N3O3 MolecularWeight: 436.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C(=O)NC1=CC=CC=C1C(=O)OCC)[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC(C(=O)NC1=CC=CC=C1C(=O)OCC)[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C20H33N3O3.2ClH/c1-6-22(7-2)15-18(23(8-3)9-4)19(24)21-17-14-12-11-13-16(17)20(25)26-10-5;;/h11-14,18H,6-10,15H2,1-5H3,(H,21,24);2*1H