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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-21(2,3)18-6-8-20(9-7-18)27(24,25)22-15-17-10-12-23(13-11-17)16-19-5-4-14-26-19/h4-9,14,17,22H,10-13,15-16H2,1-3H3/p+1