ethyl N-[2-(ethoxycarbonylamino)-1,2-bis[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]carbamate dibromide

Systemtic Name: ethyl N-[2-(ethoxycarbonylamino)-1,2-bis[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]carbamate dibromide Openeye Name: ethyl N-[1,2-bis(1-benzylpyridin-1-ium-4-yl)-2-(ethoxycarbonylamino)ethyl]carbamate dibromide CAS Name: N-[2-(ethoxycarbonylamino)-1,2-bis[1-(phenylmethyl)-4-pyridin-1-iumyl]ethyl]carbamic acid ethyl ester dibromide IUPAC Name: ethyl N-[1,2-bis(1-benzylpyridin-1-ium-4-yl)-2-(ethoxycarbonylamino)ethyl]carbamate dibromide Traditional Name: N-[1,2-bis(1-benzylpyridin-1-ium-4-yl)-2-(carbethoxyamino)ethyl]carbamic acid ethyl ester dibromide Formula: C32H36Br2N4O4 MolecularWeight: 700.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C1=CC=[N+](C=C1)CC2=CC=CC=C2)C(C3=CC=[N+](C=C3)CC4=CC=CC=C4)NC(=O)OCC.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)NC(C1=CC=[N+](C=C1)CC2=CC=CC=C2)C(C3=CC=[N+](C=C3)CC4=CC=CC=C4)NC(=O)OCC.[Br-].[Br-]

InChI

InChI=1S/C32H34N4O4.2BrH/c1-3-39-31(37)33-29(27-15-19-35(20-16-27)23-25-11-7-5-8-12-25)30(34-32(38)40-4-2)28-17-21-36(22-18-28)24-26-13-9-6-10-14-26;;/h5-22,29-30H,3-4,23-24H2,1-2H3;2*1H