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

Systemtic Name: methyl 2-[5-bromanyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[5-bromo-4-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-(4-ethyl-1-piperazin-4-iumyl)-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-(4-ethylpiperazin-4-ium-1-yl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-4-(4-ethylpiperazin-4-ium-1-yl)-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C13H20BrN4O3+ MolecularWeight: 360.2269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN4O3/c1-3-16-4-6-17(7-5-16)10-8-15-18(9-11(19)21-2)13(20)12(10)14/h8H,3-7,9H2,1-2H3/p+1