N-(4-acetamidophenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-(4-acetamidophenyl)-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C15H16N3O2S+ MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[NH+]2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[NH+]2

InChI

InChI=1S/C15H15N3O2S/c1-11(19)17-12-5-7-13(8-6-12)18-14(20)10-21-15-4-2-3-9-16-15/h2-9H,10H2,1H3,(H,17,19)(H,18,20)/p+1