2-[4-[(5-bromanyl-2-oxidanylidene-pyridin-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(5-bromanyl-2-oxidanylidene-pyridin-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(5-bromo-2-oxo-1-pyridyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(5-bromo-2-oxopyridin-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(5-bromo-2-keto-1-pyridyl)methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C16H17BrN5O+ MolecularWeight: 375.24308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=C(C=CC2=O)Br)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CN2C=C(C=CC2=O)Br)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C16H16BrN5O/c17-14-1-2-16(23)22(11-14)12-20-5-7-21(8-6-20)15-9-13(10-18)3-4-19-15/h1-4,9,11H,5-8,12H2/p+1