5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 5-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridin-2-one IUPAC Name: 5-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-pyridone Formula: C15H17ClN3O2S+ MolecularWeight: 338.83238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C15H16ClN3O2S/c16-13-3-2-12(22-13)10-18-5-7-19(8-6-18)15(21)11-1-4-14(20)17-9-11/h1-4,9H,5-8,10H2,(H,17,20)/p+1