[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C21H22N3OS2+ MolecularWeight: 396.54888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CC=CNC4=S

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CC=CNC4=S

InChI

InChI=1S/C21H21N3OS2/c25-21(18-7-4-10-22-20(18)26)24-13-11-23(12-14-24)15-17-8-9-19(27-17)16-5-2-1-3-6-16/h1-10H,11-15H2,(H,22,26)/p+1