4-(4-chlorophenyl)sulfanyl-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(3-hydroxypyridin-1-ium-2-yl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(3-hydroxy-2-pyridin-1-iumyl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(3-hydroxypyridin-1-ium-2-yl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(3-hydroxypyridin-1-ium-2-yl)butyramide Formula: C15H16ClN2O2S+ MolecularWeight: 323.81774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NC(=O)CCCSC2=CC=C(C=C2)Cl)O

Isomeric SMILES

C1=CC(=C([NH+]=C1)NC(=O)CCCSC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C15H15ClN2O2S/c16-11-5-7-12(8-6-11)21-10-2-4-14(20)18-15-13(19)3-1-9-17-15/h1,3,5-9,19H,2,4,10H2,(H,17,18,20)/p+1