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

Systemtic Name: (2R)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate Openeye Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-oxo-4-(4-phenylazoanilino)butanoate CAS Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-oxo-4-(4-phenyldiazenylanilino)butanoate IUPAC Name: (2R)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxo-4-(4-phenyldiazenylanilino)butanoate Traditional Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-keto-4-(4-phenylazoanilino)butyrate Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-3-28(4-2)16-8-15-24-21(23(30)31)17-22(29)25-18-11-13-20(14-12-18)27-26-19-9-6-5-7-10-19/h5-7,9-14,21,24H,3-4,8,15-17H2,1-2H3,(H,25,29)(H,30,31)/p+1/t21-/m1/s1