N-[(2-chlorophenyl)methoxy]-1-[1-(3-pyridin-1-ium-1-ylpropyl)pyridin-1-ium-4-yl]methanimine dibromide

Systemtic Name: N-[(2-chlorophenyl)methoxy]-1-[1-(3-pyridin-1-ium-1-ylpropyl)pyridin-1-ium-4-yl]methanimine dibromide Openeye Name: N-[(2-chlorophenyl)methoxy]-1-[1-(3-pyridin-1-ium-1-ylpropyl)pyridin-1-ium-4-yl]methanimine dibromide CAS Name: N-[(2-chlorophenyl)methoxy]-1-[1-[3-(1-pyridin-1-iumyl)propyl]-4-pyridin-1-iumyl]methanimine dibromide IUPAC Name: N-[(2-chlorophenyl)methoxy]-1-[1-(3-pyridin-1-ium-1-ylpropyl)pyridin-1-ium-4-yl]methanimine dibromide Traditional Name: (E)-(2-chlorobenzyl)oxy-[[1-(3-pyridin-1-ium-1-ylpropyl)pyridin-1-ium-4-yl]methylene]amine dibromide Formula: C21H22Br2ClN3O MolecularWeight: 527.67988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC[N+]2=CC=C(C=C2)C=NOCC3=CC=CC=C3Cl.[Br-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCC[N+]2=CC=C(C=C2)/C=N/OCC3=CC=CC=C3Cl.[Br-].[Br-]

InChI

InChI=1S/C21H22ClN3O.2BrH/c22-21-8-3-2-7-20(21)18-26-23-17-19-9-15-25(16-10-19)14-6-13-24-11-4-1-5-12-24;;/h1-5,7-12,15-17H,6,13-14,18H2;2*1H/q+2;;/p-2/b23-17+;;