N-[3-(azepan-1-ium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C17H27N2O4S+ MolecularWeight: 355.47228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H26N2O4S/c20-24(21,15-6-7-16-17(14-15)23-13-12-22-16)18-8-5-11-19-9-3-1-2-4-10-19/h6-7,14,18H,1-5,8-13H2/p+1