N-(3-oxidanylpyridin-1-ium-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-(3-oxidanylpyridin-1-ium-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C18H15N2O2S+ MolecularWeight: 323.3889

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=C(C=CC=[NH+]4)O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=C(C=CC=[NH+]4)O

InChI

InChI=1S/C18H14N2O2S/c21-14-6-3-9-19-17(14)20-18(22)15-10-12-8-7-11-4-1-2-5-13(11)16(12)23-15/h1-6,9-10,21H,7-8H2,(H,19,20,22)/p+1