[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(4-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl]-methyl-ammonium CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-[2-(4-methoxycarbonyl-1-piperidinyl)-2-oxoethyl]-methylammonium IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]-methylazanium Traditional Name: [2-(4-carbomethoxypiperidino)-2-keto-ethyl]-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-methyl-ammonium Formula: C26H30ClN4O3+ MolecularWeight: 481.9944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C26H29ClN4O3/c1-29(18-24(32)30-14-12-20(13-15-30)26(33)34-2)16-21-17-31(23-6-4-3-5-7-23)28-25(21)19-8-10-22(27)11-9-19/h3-11,17,20H,12-16,18H2,1-2H3/p+1