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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-methoxy-5-methyl-benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-2-methoxy-5-methyl-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-2-methoxy-5-methylbenzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-2-methoxy-5-methyl-benzenesulfonamide Formula: C19H27N2O4S+ MolecularWeight: 379.49368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C19H26N2O4S/c1-15-5-6-18(24-2)19(12-15)26(22,23)20-13-16-7-9-21(10-8-16)14-17-4-3-11-25-17/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3/p+1