methyl 2-[(2R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCNC(=O)C4CC(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCNC(=O)[C@H]4CC(=O)OC

InChI

InChI=1S/C24H26N4O4/c1-27-15-18(16-28-13-12-25-24(30)21(28)14-22(29)31-2)23(26-27)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-11,15,21H,12-14,16H2,1-2H3,(H,25,30)/p+1/t21-/m1/s1