2-pyridin-1-ium-1-ylethyl 3-pyridin-1-ium-1-ylpropanoate dibromide

Systemtic Name: 2-pyridin-1-ium-1-ylethyl 3-pyridin-1-ium-1-ylpropanoate dibromide Openeye Name: 2-pyridin-1-ium-1-ylethyl 3-pyridin-1-ium-1-ylpropanoate dibromide CAS Name: 3-(1-pyridin-1-iumyl)propanoic acid 2-(1-pyridin-1-iumyl)ethyl ester dibromide IUPAC Name: 2-pyridin-1-ium-1-ylethyl 3-pyridin-1-ium-1-ylpropanoate dibromide Traditional Name: 3-pyridin-1-ium-1-ylpropionic acid 2-pyridin-1-ium-1-ylethyl ester dibromide Formula: C15H18Br2N2O2 MolecularWeight: 418.12362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC(=O)OCC[N+]2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCC(=O)OCC[N+]2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C15H18N2O2.2BrH/c18-15(7-12-16-8-3-1-4-9-16)19-14-13-17-10-5-2-6-11-17;;/h1-6,8-11H,7,12-14H2;2*1H/q+2;;/p-2