1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N,5-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N,5-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N,5-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide CAS Name: 1-[4-(2-fluorophenyl)-2-pyrimidinyl]-N,5-dimethyl-N-(1-methyl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N,5-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N,5-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Formula: C22H26FN6O+ MolecularWeight: 409.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N(C)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N(C)C4CC[NH+](CC4)C

InChI

InChI=1S/C22H25FN6O/c1-15-18(21(30)28(3)16-9-12-27(2)13-10-16)14-25-29(15)22-24-11-8-20(26-22)17-6-4-5-7-19(17)23/h4-8,11,14,16H,9-10,12-13H2,1-3H3/p+1