2-chloranyl-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyridine-4-carboxamide

Systemtic Name: 2-chloranyl-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyridine-4-carboxamide Openeye Name: 2-chloro-N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyridine-4-carboxamide CAS Name: 2-chloro-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyridine-4-carboxamide Traditional Name: 2-chloro-N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]isonicotinamide Formula: C26H35ClN3O+ MolecularWeight: 441.0286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN3O/c1-20-6-2-3-7-22(20)13-17-29-15-11-21(12-16-29)19-30(24-8-4-5-9-24)26(31)23-10-14-28-25(27)18-23/h2-3,6-7,10,14,18,21,24H,4-5,8-9,11-13,15-17,19H2,1H3/p+1