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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CNC2=NC=CC(=N2)C3=CN(N=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

C[NH+]1CCCC[C@@H]1CNC2=NC=CC(=N2)C3=CN(N=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H26N6O/c1-26-11-4-3-6-18(26)14-23-21-22-10-9-20(25-21)16-13-24-27(15-16)17-7-5-8-19(12-17)28-2/h5,7-10,12-13,15,18H,3-4,6,11,14H2,1-2H3,(H,22,23,25)/p+1/t18-/m1/s1