5-chloranyl-1-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)pyridin-2-one

Systemtic Name: 5-chloranyl-1-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)pyridin-2-one Openeye Name: 5-chloro-1-(3-oxo-3-piperazin-4-ium-1-yl-propyl)pyridin-2-one CAS Name: 5-chloro-1-[3-oxo-3-(1-piperazin-4-iumyl)propyl]-2-pyridinone IUPAC Name: 5-chloro-1-(3-oxo-3-piperazin-4-ium-1-ylpropyl)pyridin-2-one Traditional Name: 5-chloro-1-(3-keto-3-piperazin-4-ium-1-yl-propyl)-2-pyridone Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCN2C=C(C=CC2=O)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCN2C=C(C=CC2=O)Cl

InChI

InChI=1S/C12H16ClN3O2/c13-10-1-2-11(17)16(9-10)6-3-12(18)15-7-4-14-5-8-15/h1-2,9,14H,3-8H2/p+1