3-(phenylsulfonyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(phenylsulfonyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(benzenesulfonyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-besyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C21H33N2O3S+ MolecularWeight: 393.56332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H32N2O3S/c24-20(12-17-27(25,26)19-10-4-1-5-11-19)22-18-21(13-6-2-7-14-21)23-15-8-3-9-16-23/h1,4-5,10-11H,2-3,6-9,12-18H2,(H,22,24)/p+1