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

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(3,4-dichlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(3,4-dichloroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(3,4-dichloroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(3,4-dichloroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-(3,4-dichloroanilino)-4-keto-butyrate Formula: C13H18Cl2N3O3+ MolecularWeight: 335.20632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2N3O3/c14-9-3-2-8(6-10(9)15)18-12(19)7-11(13(20)21)17-5-1-4-16/h2-3,6,11,17H,1,4-5,7,16H2,(H,18,19)(H,20,21)/p+1/t11-/m1/s1