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

Systemtic Name: 3-acetamido-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]propanamide Openeye Name: 3-acetamido-N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]propanamide CAS Name: 3-acetamido-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]propanamide IUPAC Name: 3-acetamido-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]propanamide Traditional Name: 3-acetamido-N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]propionamide Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O2/c1-4-25(22(27)9-13-23-19(3)26)17-20-10-14-24(15-11-20)16-12-21-8-6-5-7-18(21)2/h5-8,20H,4,9-17H2,1-3H3,(H,23,26)/p+1