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

Systemtic Name: (1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C24H24N5OS+ MolecularWeight: 430.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5OS/c30-24(28-13-11-27(12-14-28)17-21-9-5-15-31-21)22-18-29(20-7-2-1-3-8-20)26-23(22)19-6-4-10-25-16-19/h1-10,15-16,18H,11-14,17H2/p+1