(2-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(methylthio)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(methylthio)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H20N3OS+ MolecularWeight: 314.4252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N3OS/c1-22-15-7-3-2-6-14(15)17(21)20-12-10-19(11-13-20)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3/p+1