N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide Formula: C22H24F3N4OS+ MolecularWeight: 449.51237

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C22H23F3N4OS/c1-27-11-9-16(10-12-27)28(2)21(30)15-5-7-17(8-6-15)29-18(19-4-3-13-31-19)14-20(26-29)22(23,24)25/h3-8,13-14,16H,9-12H2,1-2H3/p+1