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

Systemtic Name: 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-5-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carboxamide Formula: C28H31N6O2+ MolecularWeight: 483.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O2/c1-20-24(27(35)31-22-13-16-33(17-14-22)19-21-8-4-3-5-9-21)18-30-34(20)28-29-15-12-25(32-28)23-10-6-7-11-26(23)36-2/h3-12,15,18,22H,13-14,16-17,19H2,1-2H3,(H,31,35)/p+1