3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 3-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridin-2-one IUPAC Name: 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-pyridone Formula: C15H17BrN3O2S+ MolecularWeight: 383.28338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=CNC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=CNC3=O

InChI

InChI=1S/C15H16BrN3O2S/c16-13-4-3-11(22-13)10-18-6-8-19(9-7-18)15(21)12-2-1-5-17-14(12)20/h1-5H,6-10H2,(H,17,20)/p+1