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

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(2-hydroxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(2-hydroxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(2-hydroxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(2-hydroxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-(2-hydroxyanilino)-4-keto-butyrate Formula: C12H18N3O4+ MolecularWeight: 268.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c13-5-6-14-9(12(18)19)7-11(17)15-8-3-1-2-4-10(8)16/h1-4,9,14,16H,5-7,13H2,(H,15,17)(H,18,19)/p+1/t9-/m1/s1