3-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propanamide

Systemtic Name: 3-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propanamide Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(o-tolylmethylsulfonyl)propanamide CAS Name: 3-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]propanamide IUPAC Name: 3-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propanamide Traditional Name: 3-(2-methylbenzyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propionamide Formula: C20H33N2O3S+ MolecularWeight: 381.55262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CCS(=O)(=O)CC2=CC=CC=C2C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)CCS(=O)(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C20H32N2O3S/c1-17-8-13-22(14-9-17)12-5-11-21-20(23)10-15-26(24,25)16-19-7-4-3-6-18(19)2/h3-4,6-7,17H,5,8-16H2,1-2H3,(H,21,23)/p+1