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

Systemtic Name: N-cyclopropyl-3-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-cyclopropyl-3-[1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-cyclopropyl-3-[1-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-cyclopropyl-3-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-cyclopropyl-3-[1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCC(CC3)CCC(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCC(CC3)CCC(=O)NC4CC4

InChI

InChI=1S/C23H30N4O/c1-17-4-2-3-5-21(17)23-24-14-19(15-25-23)16-27-12-10-18(11-13-27)6-9-22(28)26-20-7-8-20/h2-5,14-15,18,20H,6-13,16H2,1H3,(H,26,28)/p+1