N-(5-chloranylpyridin-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-butanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-butanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-pyridin-1-ium-2-ylsulfanyl-butanamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(2-pyridin-1-iumylthio)butanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-pyridin-1-ium-2-ylsulfanylbutanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(pyridin-1-ium-2-ylthio)butyramide Formula: C14H15ClN3OS+ MolecularWeight: 308.8064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3OS/c1-2-11(20-13-5-3-4-8-16-13)14(19)18-12-7-6-10(15)9-17-12/h3-9,11H,2H2,1H3,(H,17,18,19)/p+1