2-ethyl-3-oxidanyl-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide

Systemtic Name: 2-ethyl-3-oxidanyl-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide Openeye Name: 2-ethyl-3-hydroxy-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide CAS Name: 2-ethyl-3-hydroxy-1-[2-(1-piperidin-1-iumyl)ethyl]-1H-pyridin-1-ium-4-one dibromide IUPAC Name: 2-ethyl-3-hydroxy-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide Traditional Name: 2-ethyl-3-hydroxy-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide Formula: C14H24Br2N2O2 MolecularWeight: 412.16056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C[NH+]1CC[NH+]2CCCCC2)O.[Br-].[Br-]

Isomeric SMILES

CCC1=C(C(=O)C=C[NH+]1CC[NH+]2CCCCC2)O.[Br-].[Br-]

InChI

InChI=1S/C14H22N2O2.2BrH/c1-2-12-14(18)13(17)6-9-16(12)11-10-15-7-4-3-5-8-15;;/h6,9,18H,2-5,7-8,10-11H2,1H3;2*1H