5-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-1-[4-(3-pyridyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-1-[4-(3-pyridinyl)-2-pyrimidinyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: 5-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-1-[4-(3-pyridyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CN=CC=C3)C(=O)NCC4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CN=CC=C3)C(=O)NCC4CC[NH+](CC4)C

InChI

InChI=1S/C21H25N7O/c1-15-18(20(29)24-12-16-6-10-27(2)11-7-16)14-25-28(15)21-23-9-5-19(26-21)17-4-3-8-22-13-17/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,24,29)/p+1