5-(methoxymethyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-(methoxymethyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(methoxymethyl)-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-(methoxymethyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(methoxymethyl)-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C26H29N6O2S+ MolecularWeight: 489.61246

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COCC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O2S/c1-34-18-23-21(16-28-32(23)26-27-12-9-22(30-26)24-8-5-15-35-24)25(33)29-20-10-13-31(14-11-20)17-19-6-3-2-4-7-19/h2-9,12,15-16,20H,10-11,13-14,17-18H2,1H3,(H,29,33)/p+1