4-(2-pyridin-1-ium-2-ylsulfanylethanoylamino)benzamide

Systemtic Name: 4-(2-pyridin-1-ium-2-ylsulfanylethanoylamino)benzamide Openeye Name: 4-[(2-pyridin-1-ium-2-ylsulfanylacetyl)amino]benzamide CAS Name: 4-[[1-oxo-2-(2-pyridin-1-iumylthio)ethyl]amino]benzamide IUPAC Name: 4-[(2-pyridin-1-ium-2-ylsulfanylacetyl)amino]benzamide Traditional Name: 4-[[2-(pyridin-1-ium-2-ylthio)acetyl]amino]benzamide Formula: C14H14N3O2S+ MolecularWeight: 288.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C1=CC=[NH+]C(=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C14H13N3O2S/c15-14(19)10-4-6-11(7-5-10)17-12(18)9-20-13-3-1-2-8-16-13/h1-8H,9H2,(H2,15,19)(H,17,18)/p+1