N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C21H27N4O6S+ MolecularWeight: 463.52728

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O6S/c1-2-24(15-21(26)23-16-3-5-18-19(13-16)31-12-11-30-18)20-6-4-17(14-22-20)32(27,28)25-7-9-29-10-8-25/h3-6,13-14H,2,7-12,15H2,1H3,(H,23,26)/p+1