1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-[3-(1-piperidin-1-iumyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-(4-fluorobenzyl)-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)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)NCCC[NH+]3CCCCC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCCC[NH+]3CCCCC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H27FN4OS/c1-16-19-14-20(21(28)24-10-5-13-26-11-3-2-4-12-26)29-22(19)27(25-16)15-17-6-8-18(23)9-7-17/h6-9,14H,2-5,10-13,15H2,1H3,(H,24,28)/p+1