6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)hexanamide

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)hexanamide Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-isopropylpiperidin-1-ium-4-yl)hexanamide CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-propan-2-yl-4-piperidin-1-iumyl)hexanamide IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)hexanamide Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-isopropylpiperidin-1-ium-4-yl)hexanamide Formula: C22H36N3O5S+ MolecularWeight: 454.60334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H35N3O5S/c1-17(2)25-12-9-18(10-13-25)24-22(26)6-4-3-5-11-23-31(27,28)19-7-8-20-21(16-19)30-15-14-29-20/h7-8,16-18,23H,3-6,9-15H2,1-2H3,(H,24,26)/p+1