(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonyl-amino]hexyl]carbamate dibromide

Systemtic Name: (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonyl-amino]hexyl]carbamate dibromide Openeye Name: (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonyl-amino]hexyl]carbamate dibromide CAS Name: N-methyl-N-[6-[methyl-[(1-methyl-3-pyridin-1-iumyl)oxy-oxomethyl]amino]hexyl]carbamic acid (1-methyl-3-pyridin-1-iumyl) ester dibromide IUPAC Name: (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate dibromide Traditional Name: N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonyl-amino]hexyl]carbamic acid (1-methylpyridin-1-ium-3-yl) ester dibromide Formula: C22H32Br2N4O4 MolecularWeight: 576.32188

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)OC(=O)N(C)CCCCCCN(C)C(=O)OC2=C[N+](=CC=C2)C.[Br-].[Br-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)OC(=O)N(C)CCCCCCN(C)C(=O)OC2=C[N+](=CC=C2)C.[Br-].[Br-]

InChI

InChI=1S/C22H32N4O4.2BrH/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20;;/h9-14,17-18H,5-8,15-16H2,1-4H3;2*1H/q+2;;/p-2