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

Systemtic Name: 4-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrimidin-2-amine Openeye Name: 4-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrimidin-2-amine CAS Name: 4-[1-(4-methoxyphenyl)-4-pyrazolyl]-N-[(3S)-1-methyl-3-piperidin-1-iumyl]-2-pyrimidinamine IUPAC Name: 4-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrimidin-2-amine Traditional Name: [4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-[(3S)-1-methylpiperidin-1-ium-3-yl]amine Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H24N6O/c1-25-11-3-4-16(14-25)23-20-21-10-9-19(24-20)15-12-22-26(13-15)17-5-7-18(27-2)8-6-17/h5-10,12-13,16H,3-4,11,14H2,1-2H3,(H,21,23,24)/p+1/t16-/m0/s1