(2R)-4-[(3,4-dichlorophenyl)amino]-2-(2-dimethylaminoethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3,4-dichlorophenyl)amino]-2-(2-dimethylaminoethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3,4-dichloroanilino)-2-(2-dimethylaminoethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3,4-dichloroanilino)-2-(2-dimethylaminoethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3,4-dichloroanilino)-2-(2-dimethylaminoethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3,4-dichloroanilino)-2-(2-dimethylaminoethylammonio)-4-keto-butyrate Formula: C14H19Cl2N3O3 MolecularWeight: 348.22496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]C(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)[O-]

Isomeric SMILES

CN(C)CC[NH2+][C@H](CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C14H19Cl2N3O3/c1-19(2)6-5-17-12(14(21)22)8-13(20)18-9-3-4-10(15)11(16)7-9/h3-4,7,12,17H,5-6,8H2,1-2H3,(H,18,20)(H,21,22)/t12-/m1/s1