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

Systemtic Name: methyl 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C24H33N4O3+ MolecularWeight: 425.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCNC(=O)C4CC(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCNC(=O)[C@H]4CC(=O)OC

InChI

InChI=1S/C24H32N4O3/c1-27-15-20(16-28-13-12-25-24(30)21(28)14-22(29)31-2)23(26-27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-11,15,17,21H,3-7,12-14,16H2,1-2H3,(H,25,30)/p+1/t21-/m1/s1