[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C18H22N3OS+ MolecularWeight: 328.45178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H21N3OS/c1-23-17-4-2-15(3-5-17)14-20-10-12-21(13-11-20)18(22)16-6-8-19-9-7-16/h2-9H,10-14H2,1H3/p+1