N-methyl-3,4-bis(oxidanyl)-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide

Systemtic Name: N-methyl-3,4-bis(oxidanyl)-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide Openeye Name: 3,4-dihydroxy-N-methyl-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide CAS Name: 3,4-dihydroxy-N-methyl-N-[(1-pyridin-1-iumylthio)methyl]benzamide IUPAC Name: 3,4-dihydroxy-N-methyl-N-(pyridin-1-ium-1-ylsulfanylmethyl)benzamide Traditional Name: 3,4-dihydroxy-N-methyl-N-[(pyridin-1-ium-1-ylthio)methyl]benzamide Formula: C14H15N2O3S+ MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

CN(CS[N+]1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

CN(CS[N+]1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H14N2O3S/c1-15(10-20-16-7-3-2-4-8-16)14(19)11-5-6-12(17)13(18)9-11/h2-9H,10H2,1H3,(H-,17,18,19)/p+1