5-bromanyl-1-(4-oxidanylidene-4-piperazin-4-ium-1-yl-butyl)pyridin-2-one

Systemtic Name: 5-bromanyl-1-(4-oxidanylidene-4-piperazin-4-ium-1-yl-butyl)pyridin-2-one Openeye Name: 5-bromo-1-(4-oxo-4-piperazin-4-ium-1-yl-butyl)pyridin-2-one CAS Name: 5-bromo-1-[4-oxo-4-(1-piperazin-4-iumyl)butyl]-2-pyridinone IUPAC Name: 5-bromo-1-(4-oxo-4-piperazin-4-ium-1-ylbutyl)pyridin-2-one Traditional Name: 5-bromo-1-(4-keto-4-piperazin-4-ium-1-yl-butyl)-2-pyridone Formula: C13H19BrN3O2+ MolecularWeight: 329.21286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCCN2C=C(C=CC2=O)Br

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCCN2C=C(C=CC2=O)Br

InChI

InChI=1S/C13H18BrN3O2/c14-11-3-4-13(19)17(10-11)7-1-2-12(18)16-8-5-15-6-9-16/h3-4,10,15H,1-2,5-9H2/p+1