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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-3,4-dimethyl-benzenesulfonamide Formula: C19H27N2O3S+ MolecularWeight: 363.49428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3S/c1-15-5-6-19(12-16(15)2)25(22,23)20-13-17-7-9-21(10-8-17)14-18-4-3-11-24-18/h3-6,11-12,17,20H,7-10,13-14H2,1-2H3/p+1