5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[2-(4-phenyl-1-piperidin-1-iumyl)ethyl]-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: 5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C26H29N6OS+ MolecularWeight: 473.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+]4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+]4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6OS/c1-19-22(18-29-32(19)26-28-12-9-23(30-26)24-8-5-17-34-24)25(33)27-13-16-31-14-10-21(11-15-31)20-6-3-2-4-7-20/h2-9,12,17-18,21H,10-11,13-16H2,1H3,(H,27,33)/p+1