(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate

Systemtic Name: (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)-4-(4-phenoxyanilino)butyrate Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-23-11-13-24(14-12-23)19(21(26)27)15-20(25)22-16-7-9-18(10-8-16)28-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,22,25)(H,26,27)/p+1/t19-/m1/s1