N-(3-chlorophenyl)-2-pyridin-1-ium-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-chlorophenyl)-2-pyridin-1-ium-2-ylsulfanyl-propanamide Openeye Name: N-(3-chlorophenyl)-2-pyridin-1-ium-2-ylsulfanyl-propanamide CAS Name: N-(3-chlorophenyl)-2-(2-pyridin-1-iumylthio)propanamide IUPAC Name: N-(3-chlorophenyl)-2-pyridin-1-ium-2-ylsulfanylpropanamide Traditional Name: N-(3-chlorophenyl)-2-(pyridin-1-ium-2-ylthio)propionamide Formula: C14H14ClN2OS+ MolecularWeight: 293.79176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=CC=CC=[NH+]2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H13ClN2OS/c1-10(19-13-7-2-3-8-16-13)14(18)17-12-6-4-5-11(15)9-12/h2-10H,1H3,(H,17,18)/p+1