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

Systemtic Name: N,5-dimethyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Openeye Name: N,5-dimethyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide CAS Name: N,5-dimethyl-1-[4-(5-methyl-2-furanyl)-2-pyrimidinyl]-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: N,5-dimethyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: N,5-dimethyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N(C)CC4CCC[NH+](C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O2/c1-15-7-8-20(30-15)19-9-10-23-22(25-19)28-16(2)18(12-24-28)21(29)27(4)14-17-6-5-11-26(3)13-17/h7-10,12,17H,5-6,11,13-14H2,1-4H3/p+1/t17-/m0/s1