1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-[(4-fluorophenyl)methyl]-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-(4-fluorobenzyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C22H28FN4OS+ MolecularWeight: 415.547323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3CC[NH+](CC3)C(C)C)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3CC[NH+](CC3)C(C)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H27FN4OS/c1-14(2)26-10-8-18(9-11-26)24-21(28)20-12-19-15(3)25-27(22(19)29-20)13-16-4-6-17(23)7-5-16/h4-7,12,14,18H,8-11,13H2,1-3H3,(H,24,28)/p+1