[(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-bromanylbenzoate

Systemtic Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-bromanylbenzoate Openeye Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxo-1-pyridyl)vinyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(Z)-1-(4-methyl-1-piperazin-4-iumyl)-2-(2-oxo-1-pyridinyl)ethenyl] ester IUPAC Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxopyridin-1-yl)ethenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(Z)-2-(2-keto-1-pyridyl)-1-(4-methylpiperazin-4-ium-1-yl)vinyl] ester Formula: C19H21BrN3O3+ MolecularWeight: 419.29234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)/C(=C/N2C=CC=CC2=O)/OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O3/c1-21-10-12-22(13-11-21)18(14-23-9-3-2-4-17(23)24)26-19(25)15-5-7-16(20)8-6-15/h2-9,14H,10-13H2,1H3/p+1/b18-14-