2-methylsulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 2-methylsulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 2-methylsulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 2-(methylthio)-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 2-methylsulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 2-(methylthio)-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C16H25N2OS+ MolecularWeight: 293.4475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCC[NH+]2CCCCC2

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C16H24N2OS/c1-20-15-9-4-3-8-14(15)16(19)17-10-7-13-18-11-5-2-6-12-18/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,17,19)/p+1