2-methoxy-4,5-dimethyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 2-methoxy-4,5-dimethyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-methoxy-4,5-dimethyl-benzenesulfonamide CAS Name: 2-methoxy-4,5-dimethyl-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-methoxy-4,5-dimethyl-benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H30N2O3S/c1-17-13-21(27-3)22(14-18(17)2)28(25,26)23-15-19-9-11-24(12-10-19)16-20-7-5-4-6-8-20/h4-8,13-14,19,23H,9-12,15-16H2,1-3H3/p+1