5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-oxidanylpyridin-1-ium-2-yl)thiophene-2-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-oxidanylpyridin-1-ium-2-yl)thiophene-2-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypyridin-1-ium-2-yl)thiophene-2-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxy-2-pyridin-1-iumyl)-2-thiophenecarboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypyridin-1-ium-2-yl)thiophene-2-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypyridin-1-ium-2-yl)thiophene-2-carboxamide Formula: C18H15N2O4S+ MolecularWeight: 355.3877

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)NC4=C(C=CC=[NH+]4)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)NC4=C(C=CC=[NH+]4)O

InChI

InChI=1S/C18H14N2O4S/c21-12-2-1-7-19-17(12)20-18(22)16-6-5-15(25-16)11-3-4-13-14(10-11)24-9-8-23-13/h1-7,10,21H,8-9H2,(H,19,20,22)/p+1