N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-cyclopentyl-6-keto-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyridine-3-carboxamide Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=CNC(=O)C=C4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=CNC(=O)C=C4

InChI

InChI=1S/C26H35N3O2/c1-20-6-2-3-7-22(20)14-17-28-15-12-21(13-16-28)19-29(24-8-4-5-9-24)26(31)23-10-11-25(30)27-18-23/h2-3,6-7,10-11,18,21,24H,4-5,8-9,12-17,19H2,1H3,(H,27,30)/p+1