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

Systemtic Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)butyrate Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-24-11-13-25(14-12-24)19(21(27)28)15-20(26)23-18-9-7-17(8-10-18)22-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3,(H,23,26)(H,27,28)/t19-/m1/s1