N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H25N2O5S+ MolecularWeight: 393.4772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CO4

InChI

InChI=1S/C19H24N2O5S/c22-27(23,17-3-4-18-19(12-17)26-11-10-25-18)20-13-15-5-7-21(8-6-15)14-16-2-1-9-24-16/h1-4,9,12,15,20H,5-8,10-11,13-14H2/p+1