N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-2-yl-propanamide

Systemtic Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-2-yl-propanamide Openeye Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-(2-pyridyl)propanamide CAS Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-3-(2-pyridinyl)propanamide IUPAC Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-2-ylpropanamide Traditional Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-(2-pyridyl)propionamide Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CCC3=CC=CC=N3

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CCC3=CC=CC=N3

InChI

InChI=1S/C25H35N3O/c1-3-28(25(29)12-11-24-10-6-7-16-26-24)20-22-13-17-27(18-14-22)19-15-23-9-5-4-8-21(23)2/h4-10,16,22H,3,11-15,17-20H2,1-2H3/p+1