1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide

Systemtic Name: 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Openeye Name: 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide CAS Name: 1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-N,5-dimethyl-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)N(C)CC4CCC[NH+](C4)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)N(C)C[C@H]4CCC[NH+](C4)C

InChI

InChI=1S/C24H30N6O2/c1-17-20(23(31)29(3)16-18-8-7-13-28(2)15-18)14-26-30(17)24-25-12-11-21(27-24)19-9-5-6-10-22(19)32-4/h5-6,9-12,14,18H,7-8,13,15-16H2,1-4H3/p+1/t18-/m0/s1