ethyl 2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propanoate dibromide

Systemtic Name: ethyl 2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propanoate dibromide Openeye Name: ethyl 2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propanoate dibromide CAS Name: 2,3-bis[4-(dimethylamino)-1-pyridin-1-iumyl]propanoic acid ethyl ester dibromide IUPAC Name: ethyl 2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propanoate dibromide Traditional Name: 2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propionic acid ethyl ester dibromide Formula: C19H28Br2N4O2 MolecularWeight: 504.25922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[N+]1=CC=C(C=C1)N(C)C)[N+]2=CC=C(C=C2)N(C)C.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)C(C[N+]1=CC=C(C=C1)N(C)C)[N+]2=CC=C(C=C2)N(C)C.[Br-].[Br-]

InChI

InChI=1S/C19H28N4O2.2BrH/c1-6-25-19(24)18(23-13-9-17(10-14-23)21(4)5)15-22-11-7-16(8-12-22)20(2)3;;/h7-14,18H,6,15H2,1-5H3;2*1H/q+2;;/p-2