[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S/c1-32-23-11-9-20(10-12-23)25-21(19-30(27-25)22-6-3-2-4-7-22)18-28-13-15-29(16-14-28)26(31)24-8-5-17-33-24/h2-12,17,19H,13-16,18H2,1H3/p+1