N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-morpholin-4-yl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-morpholin-4-yl-pyridin-1-ium-3-sulfonamide Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-morpholino-pyridin-1-ium-3-sulfonamide CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(4-morpholinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide Traditional Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-morpholino-pyridin-1-ium-3-sulfonamide Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)S(=O)(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)S(=O)(=O)NC[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C18H21N3O5S/c22-27(23,15-5-6-18(19-12-15)21-7-9-24-10-8-21)20-11-14-13-25-16-3-1-2-4-17(16)26-14/h1-6,12,14,20H,7-11,13H2/p+1/t14-/m1/s1