(2R)-2-(2-azaniumylethylazaniumyl)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(2-chloroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(2-chloroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(2-chloroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-(2-chloroanilino)-4-keto-butyrate Formula: C12H17ClN3O3+ MolecularWeight: 286.73468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O3/c13-8-3-1-2-4-9(8)16-11(17)7-10(12(18)19)15-6-5-14/h1-4,10,15H,5-7,14H2,(H,16,17)(H,18,19)/p+1/t10-/m1/s1