(2R)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]-2-piperazin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(4-phenoxyanilino)-2-piperazin-1-ium-1-yl-butyrate Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)C(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCN1)[C@H](CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H23N3O4/c24-19(14-18(20(25)26)23-12-10-21-11-13-23)22-15-6-8-17(9-7-15)27-16-4-2-1-3-5-16/h1-9,18,21H,10-14H2,(H,22,24)(H,25,26)/t18-/m1/s1