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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-3,4-dimethoxy-benzenesulfonamide Formula: C19H27N2O5S+ MolecularWeight: 395.49308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)OC

InChI

InChI=1S/C19H26N2O5S/c1-24-18-6-5-17(12-19(18)25-2)27(22,23)20-13-15-7-9-21(10-8-15)14-16-4-3-11-26-16/h3-6,11-12,15,20H,7-10,13-14H2,1-2H3/p+1