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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-4-(2-methylpropoxy)benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-4-isobutoxy-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-4-(2-methylpropoxy)benzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-4-(2-methylpropoxy)benzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-4-isobutoxy-benzenesulfonamide Formula: C21H31N2O4S+ MolecularWeight: 407.54684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S/c1-17(2)16-27-19-5-7-21(8-6-19)28(24,25)22-14-18-9-11-23(12-10-18)15-20-4-3-13-26-20/h3-8,13,17-18,22H,9-12,14-16H2,1-2H3/p+1