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

Systemtic Name: 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carboxamide CAS Name: 1-[4-(2-furanyl)-2-pyrimidinyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carboxamide Formula: C27H31N6O2+ MolecularWeight: 471.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CO3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CO3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O2/c1-19(2)25-22(17-29-33(25)27-28-13-10-23(31-27)24-9-6-16-35-24)26(34)30-21-11-14-32(15-12-21)18-20-7-4-3-5-8-20/h3-10,13,16-17,19,21H,11-12,14-15,18H2,1-2H3,(H,30,34)/p+1