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

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-oxo-4-(4-phenylazoanilino)butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-oxo-4-(4-phenyldiazenylanilino)butanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-oxo-4-(4-phenyldiazenylanilino)butanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-keto-4-(4-phenylazoanilino)butyrate Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH3+]

InChI

InChI=1S/C18H21N5O3/c19-10-11-20-16(18(25)26)12-17(24)21-13-6-8-15(9-7-13)23-22-14-4-2-1-3-5-14/h1-9,16,20H,10-12,19H2,(H,21,24)(H,25,26)/p+1/t16-/m1/s1