N-phenyl-2-pyridin-1-ium-2-ylsulfanyl-propanamide

Systemtic Name: N-phenyl-2-pyridin-1-ium-2-ylsulfanyl-propanamide Openeye Name: N-phenyl-2-pyridin-1-ium-2-ylsulfanyl-propanamide CAS Name: N-phenyl-2-(2-pyridin-1-iumylthio)propanamide IUPAC Name: N-phenyl-2-pyridin-1-ium-2-ylsulfanylpropanamide Traditional Name: N-phenyl-2-(pyridin-1-ium-2-ylthio)propionamide Formula: C14H15N2OS+ MolecularWeight: 259.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2OS/c1-11(18-13-9-5-6-10-15-13)14(17)16-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)/p+1