2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[4-(4-pyridin-1-iumylmethyl)phenyl]azanide IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)CC4=CC=[NH+]C=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)CC4=CC=[NH+]C=C4

InChI

InChI=1S/C20H17N2O4S/c23-27(24,18-5-6-19-20(14-18)26-12-11-25-19)22-17-3-1-15(2-4-17)13-16-7-9-21-10-8-16/h1-10,14H,11-13H2/q-1/p+1