2,4-bis(bromanyl)-6-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenolate Openeye Name: 2,4-dibromo-6-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenolate CAS Name: 2,4-dibromo-6-[(Z)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]iminomethyl]phenolate IUPAC Name: 2,4-dibromo-6-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenolate Traditional Name: 2,4-dibromo-6-[(Z)-(4-pyridin-1-ium-2-ylpiperazino)iminomethyl]phenolate Formula: C16H16Br2N4O MolecularWeight: 440.13244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)N=CC3=CC(=CC(=C3[O-])Br)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)/N=C\C3=CC(=CC(=C3[O-])Br)Br

InChI

InChI=1S/C16H16Br2N4O/c17-13-9-12(16(23)14(18)10-13)11-20-22-7-5-21(6-8-22)15-3-1-2-4-19-15/h1-4,9-11,23H,5-8H2/b20-11-