N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-pyrazol-1-yl-ethanamide

Systemtic Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-pyrazol-1-yl-acetamide CAS Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-pyrazol-1-ylacetamide Traditional Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-pyrazol-1-yl-acetamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CN3C=CC=N3

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CN3C=CC=N3

InChI

InChI=1S/C22H32N4O/c1-3-25(22(27)18-26-13-6-12-23-26)17-20-9-14-24(15-10-20)16-11-21-8-5-4-7-19(21)2/h4-8,12-13,20H,3,9-11,14-18H2,1-2H3/p+1