1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide

Systemtic Name: 1-[4-(3-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-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-[4-(3-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-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carboxamide Formula: C28H31N6O2+ MolecularWeight: 483.58474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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