N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide Formula: C20H29N2O4S+ MolecularWeight: 393.52026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C20H28N2O4S/c1-15-11-19(12-16(2)20(15)25-3)27(23,24)21-13-17-6-8-22(9-7-17)14-18-5-4-10-26-18/h4-5,10-12,17,21H,6-9,13-14H2,1-3H3/p+1