2-bromanyl-N'-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]benzohydrazide

Systemtic Name: 2-bromanyl-N'-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]benzohydrazide Openeye Name: 2-bromo-N'-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]benzohydrazide CAS Name: 2-bromo-N'-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]benzohydrazide IUPAC Name: 2-bromo-N'-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]benzohydrazide Traditional Name: 2-bromo-N'-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]benzohydrazide Formula: C18H22BrN5O2+2 MolecularWeight: 420.30358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NNC(=O)C2=CC=CC=C2Br)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NNC(=O)C2=CC=CC=C2Br)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H20BrN5O2/c19-15-6-2-1-5-14(15)18(26)22-21-17(25)13-23-9-11-24(12-10-23)16-7-3-4-8-20-16/h1-8H,9-13H2,(H,21,25)(H,22,26)/p+2