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

Systemtic Name: 5-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Openeye Name: 5-methyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide CAS Name: 5-methyl-1-[4-(5-methyl-2-furanyl)-2-pyrimidinyl]-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 5-methyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC4CCC[NH+](C4)C)C

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NC[C@H]4CCC[NH+](C4)C)C

InChI

InChI=1S/C21H26N6O2/c1-14-6-7-19(29-14)18-8-9-22-21(25-18)27-15(2)17(12-24-27)20(28)23-11-16-5-4-10-26(3)13-16/h6-9,12,16H,4-5,10-11,13H2,1-3H3,(H,23,28)/p+1/t16-/m1/s1