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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2,4,5-trimethyl-benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-2,4,5-trimethyl-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-2,4,5-trimethylbenzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2,4,5-trimethylbenzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-2,4,5-trimethyl-benzenesulfonamide Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-15-11-17(3)20(12-16(15)2)26(23,24)21-13-18-6-8-22(9-7-18)14-19-5-4-10-25-19/h4-5,10-12,18,21H,6-9,13-14H2,1-3H3/p+1