4-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrimidin-2-amine

Systemtic Name: 4-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrimidin-2-amine Openeye Name: 4-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrimidin-2-amine CAS Name: 4-[1-(3-methoxyphenyl)-4-pyrazolyl]-N-[2-[(2R)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]-2-pyrimidinamine IUPAC Name: 4-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrimidin-2-amine Traditional Name: [4-[1-(3-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-[2-[(2R)-1-methylpyrrolidin-1-ium-2-yl]ethyl]amine Formula: C21H27N6O+ MolecularWeight: 379.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCNC2=NC=CC(=N2)C3=CN(N=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

C[NH+]1CCC[C@@H]1CCNC2=NC=CC(=N2)C3=CN(N=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H26N6O/c1-26-12-4-6-17(26)8-10-22-21-23-11-9-20(25-21)16-14-24-27(15-16)18-5-3-7-19(13-18)28-2/h3,5,7,9,11,13-15,17H,4,6,8,10,12H2,1-2H3,(H,22,23,25)/p+1/t17-/m1/s1