4-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-piperidin-1-ium-4-yl-pyrimidin-2-amine

Systemtic Name: 4-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-piperidin-1-ium-4-yl-pyrimidin-2-amine Openeye Name: 4-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-piperidin-1-ium-4-yl-pyrimidin-2-amine CAS Name: 4-[1-(4-methoxyphenyl)-4-pyrazolyl]-N-(4-piperidin-1-iumyl)-2-pyrimidinamine IUPAC Name: 4-[1-(4-methoxyphenyl)pyrazol-4-yl]-N-piperidin-1-ium-4-ylpyrimidin-2-amine Traditional Name: [4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-piperidin-1-ium-4-yl-amine Formula: C19H23N6O+ MolecularWeight: 351.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C=N2)C3=NC(=NC=C3)NC4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C=N2)C3=NC(=NC=C3)NC4CC[NH2+]CC4

InChI

InChI=1S/C19H22N6O/c1-26-17-4-2-16(3-5-17)25-13-14(12-22-25)18-8-11-21-19(24-18)23-15-6-9-20-10-7-15/h2-5,8,11-13,15,20H,6-7,9-10H2,1H3,(H,21,23,24)/p+1