N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5OS/c1-22-9-11-23(12-10-22)21-19(25)16-14-24(15-6-3-2-4-7-15)20-18(16)17-8-5-13-26-17/h2-8,13-14H,9-12H2,1H3,(H,21,25)/p+1