1-(4-fluorophenyl)-5-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-5-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-5-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C23H26FN4O+ MolecularWeight: 393.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25FN4O/c1-17-22(15-25-28(17)21-9-7-19(24)8-10-21)23(29)26-20-11-13-27(14-12-20)16-18-5-3-2-4-6-18/h2-10,15,20H,11-14,16H2,1H3,(H,26,29)/p+1