(2S)-2-azaniumyl-4-(2-azaniumylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-azaniumyl-4-(2-azaniumylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-2-azaniumyl-4-(2-azaniumylphenyl)-4-oxo-butanoate CAS Name: (2S)-2-ammonio-4-(2-ammoniophenyl)-4-oxobutanoate IUPAC Name: (2S)-2-azaniumyl-4-(2-azaniumylphenyl)-4-oxobutanoate Traditional Name: (2S)-2-ammonio-4-(2-ammoniophenyl)-4-keto-butyrate Formula: C10H13N2O3+ MolecularWeight: 209.22182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/p+1/t8-/m0/s1