2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium dibromide

Systemtic Name: 2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium dibromide Openeye Name: 2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium dibromide CAS Name: 2-[3-(1-pyridin-1-iumyl)propyl]isoquinolin-2-ium dibromide IUPAC Name: 2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium dibromide Traditional Name: 2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium dibromide Formula: C17H18Br2N2 MolecularWeight: 410.14622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC[N+]2=CC3=CC=CC=C3C=C2.[Br-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCC[N+]2=CC3=CC=CC=C3C=C2.[Br-].[Br-]

InChI

InChI=1S/C17H18N2.2BrH/c1-4-10-18(11-5-1)12-6-13-19-14-9-16-7-2-3-8-17(16)15-19;;/h1-5,7-11,14-15H,6,12-13H2;2*1H/q+2;;/p-2