cyclopropyl-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: cyclopropyl-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: cyclopropyl-[4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: cyclopropyl-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: cyclopropyl-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C(=O)C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C(=O)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2/c1-31-23-11-9-19(10-12-23)24-21(18-29(26-24)22-5-3-2-4-6-22)17-27-13-15-28(16-14-27)25(30)20-7-8-20/h2-6,9-12,18,20H,7-8,13-17H2,1H3/p+1