(2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]butanoate Openeye Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-4-(4-phenylazoanilino)butanoate CAS Name: (2R)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxo-4-(4-phenyldiazenylanilino)butanoate IUPAC Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-4-(4-phenyldiazenylanilino)butanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)-4-(4-phenylazoanilino)butyrate Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-25-11-13-26(14-12-25)19(21(28)29)15-20(27)22-16-7-9-18(10-8-16)24-23-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,22,27)(H,28,29)/t19-/m1/s1