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

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(3,4-dichlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(3,4-dichloroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(3,4-dichloroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(3,4-dichloroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-(3,4-dichloroanilino)-4-keto-butyrate Formula: C12H16Cl2N3O3+ MolecularWeight: 321.17974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CC(C(=O)[O-])[NH2+]CC[NH3+])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH3+])Cl)Cl

InChI

InChI=1S/C12H15Cl2N3O3/c13-8-2-1-7(5-9(8)14)17-11(18)6-10(12(19)20)16-4-3-15/h1-2,5,10,16H,3-4,6,15H2,(H,17,18)(H,19,20)/p+1/t10-/m1/s1