5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-[4-(2-furyl)pyrimidin-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-[4-(2-furanyl)-2-pyrimidinyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-[4-(2-furyl)pyrimidin-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Formula: C22H27N6O2+ MolecularWeight: 407.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CO4)C5CC5

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CO4)C5CC5

InChI

InChI=1S/C22H26N6O2/c1-26-11-8-16(9-12-26)27(2)21(29)17-14-24-28(20(17)15-5-6-15)22-23-10-7-18(25-22)19-4-3-13-30-19/h3-4,7,10,13-16H,5-6,8-9,11-12H2,1-2H3/p+1