N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2,3,5,6-tetramethyl-benzenesulfonamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2,3,5,6-tetramethyl-benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-2,3,5,6-tetramethyl-benzenesulfonamide Formula: C21H31N2O3S+ MolecularWeight: 391.54744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)C)C

InChI

InChI=1S/C21H30N2O3S/c1-15-12-16(2)18(4)21(17(15)3)27(24,25)22-13-19-7-9-23(10-8-19)14-20-6-5-11-26-20/h5-6,11-12,19,22H,7-10,13-14H2,1-4H3/p+1