5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-[4-(2-fluorophenyl)-2-pyrimidinyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C29H30FN6O+ MolecularWeight: 497.586503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC=CC=C4F)C(=O)NC5CC[NH+](CC5)CC6=CC=CC=C6

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC=CC=C4F)C(=O)NC5CC[NH+](CC5)CC6=CC=CC=C6

InChI

InChI=1S/C29H29FN6O/c30-25-9-5-4-8-23(25)26-12-15-31-29(34-26)36-27(21-10-11-21)24(18-32-36)28(37)33-22-13-16-35(17-14-22)19-20-6-2-1-3-7-20/h1-9,12,15,18,21-22H,10-11,13-14,16-17,19H2,(H,33,37)/p+1