N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(2-furylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-(2-furanylmethyl)-N-(1-methyl-4-piperidin-1-iumyl)-2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-2-phenyl-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(2-furfuryl)-N-(1-methylpiperidin-1-ium-4-yl)-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H26N4O2S/c1-27-13-11-19(12-14-27)28(18-21-9-5-15-31-21)25(30)23-17-22(24-10-6-16-32-24)26-29(23)20-7-3-2-4-8-20/h2-10,15-17,19H,11-14,18H2,1H3/p+1