5-(methoxymethyl)-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-(methoxymethyl)-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: 5-(methoxymethyl)-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-(methoxymethyl)-N-[2-[(2R)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: 5-(methoxymethyl)-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: 5-(methoxymethyl)-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C21H27N6O2S+ MolecularWeight: 427.54308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)COC

Isomeric SMILES

C[NH+]1CCC[C@@H]1CCNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)COC

InChI

InChI=1S/C21H26N6O2S/c1-26-11-3-5-15(26)7-9-22-20(28)16-13-24-27(18(16)14-29-2)21-23-10-8-17(25-21)19-6-4-12-30-19/h4,6,8,10,12-13,15H,3,5,7,9,11,14H2,1-2H3,(H,22,28)/p+1/t15-/m1/s1