2-(azocan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[2-(methylthio)phenyl]acetamide Formula: C16H25N2OS+ MolecularWeight: 293.4475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C16H24N2OS/c1-20-15-10-6-5-9-14(15)17-16(19)13-18-11-7-3-2-4-8-12-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,17,19)/p+1