N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-oxidanylidene-pentanamide

Systemtic Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-oxidanylidene-pentanamide Openeye Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-oxo-pentanamide CAS Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-4-oxopentanamide IUPAC Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-oxopentanamide Traditional Name: 4-keto-N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]valeramide Formula: C21H33N2O2+ MolecularWeight: 345.49892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)CCC(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)CCC(=O)C

InChI

InChI=1S/C21H32N2O2/c1-17-7-4-5-9-20(17)12-14-23-13-6-8-19(16-23)15-22(3)21(25)11-10-18(2)24/h4-5,7,9,19H,6,8,10-16H2,1-3H3/p+1/t19-/m1/s1