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

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N2O4S/c24-28(25,19-8-9-20-21(14-19)27-13-12-26-20)22-15-17-6-2-3-7-18(17)16-23-10-4-1-5-11-23/h2-3,6-9,14,22H,1,4-5,10-13,15-16H2/p+1