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

Systemtic Name: 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Openeye Name: 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide CAS Name: 1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-5-methyl-N-[2-(4-phenyl-1-piperidin-1-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Formula: C29H33N6O2+ MolecularWeight: 497.61132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N6O2/c1-21-26(28(36)30-15-18-34-16-12-23(13-17-34)22-7-4-3-5-8-22)20-32-35(21)29-31-14-11-27(33-29)24-9-6-10-25(19-24)37-2/h3-11,14,19-20,23H,12-13,15-18H2,1-2H3,(H,30,36)/p+1