N-[2-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C

InChI

InChI=1S/C22H26N6O/c1-16-5-3-4-6-20(16)22-23-13-18(14-24-22)15-27-11-8-19(9-12-27)28-21(7-10-25-28)26-17(2)29/h3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,26,29)/p+1