N-pyridin-1-ium-3-yl-3-(2-pyridin-1-ium-2-ylethylsulfanyl)propanamide

Systemtic Name: N-pyridin-1-ium-3-yl-3-(2-pyridin-1-ium-2-ylethylsulfanyl)propanamide Openeye Name: N-pyridin-1-ium-3-yl-3-(2-pyridin-1-ium-2-ylethylsulfanyl)propanamide CAS Name: N-(3-pyridin-1-iumyl)-3-[2-(2-pyridin-1-iumyl)ethylthio]propanamide IUPAC Name: N-pyridin-1-ium-3-yl-3-(2-pyridin-1-ium-2-ylethylsulfanyl)propanamide Traditional Name: N-pyridin-1-ium-3-yl-3-(2-pyridin-1-ium-2-ylethylthio)propionamide Formula: C15H19N3OS+2 MolecularWeight: 289.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CCSCCC(=O)NC2=C[NH+]=CC=C2

Isomeric SMILES

C1=CC=[NH+]C(=C1)CCSCCC(=O)NC2=C[NH+]=CC=C2

InChI

InChI=1S/C15H17N3OS/c19-15(18-14-5-3-8-16-12-14)7-11-20-10-6-13-4-1-2-9-17-13/h1-5,8-9,12H,6-7,10-11H2,(H,18,19)/p+2