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

Systemtic Name: ethyl 2-[5-bromanyl-4-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H20BrN4O3+ MolecularWeight: 360.2269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(=C(C=N1)N2CC[NH+](CC2)C)Br

Isomeric SMILES

CCOC(=O)CN1C(=O)C(=C(C=N1)N2CC[NH+](CC2)C)Br

InChI

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