6-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-pyridazin-3-one

Systemtic Name: 6-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-pyridazin-3-one Openeye Name: 6-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-pyridazin-3-one CAS Name: 6-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-2-methylpyridazin-3-one Traditional Name: 6-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-pyridazin-3-one Formula: C15H18BrN4O2S+ MolecularWeight: 398.29802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C15H17BrN4O2S/c1-18-14(21)5-3-12(17-18)15(22)20-8-6-19(7-9-20)10-11-2-4-13(16)23-11/h2-5H,6-10H2,1H3/p+1