(2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate

Systemtic Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate Openeye Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-oxo-4-(4-phenylazoanilino)butanoate CAS Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-oxo-4-(4-phenyldiazenylanilino)butanoate IUPAC Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxo-4-(4-phenyldiazenylanilino)butanoate Traditional Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-keto-4-(4-phenylazoanilino)butyrate Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-26(2)14-6-13-22-19(21(28)29)15-20(27)23-16-9-11-18(12-10-16)25-24-17-7-4-3-5-8-17/h3-5,7-12,19,22H,6,13-15H2,1-2H3,(H,23,27)(H,28,29)/p+1/t19-/m1/s1