methyl 2-[5-bromanyl-4-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[5-bromanyl-4-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[5-bromo-4-(4-methylpiperazin-4-ium-1-yl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-(4-methyl-1-piperazin-4-iumyl)-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-(4-methylpiperazin-4-ium-1-yl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-6-keto-4-(4-methylpiperazin-4-ium-1-yl)pyridazin-1-yl]acetic acid methyl ester Formula: C12H18BrN4O3+ MolecularWeight: 346.20032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)CC(=O)OC)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)CC(=O)OC)Br

InChI

InChI=1S/C12H17BrN4O3/c1-15-3-5-16(6-4-15)9-7-14-17(8-10(18)20-2)12(19)11(9)13/h7H,3-6,8H2,1-2H3/p+1