1-methyl-4-[1-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium dibromide

Systemtic Name: 1-methyl-4-[1-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium dibromide Openeye Name: 1-methyl-4-[1-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium dibromide CAS Name: 1-methyl-4-[1-methyl-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium dibromide IUPAC Name: 1-methyl-4-[1-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium dibromide Traditional Name: 1-methyl-4-[1-methyl-1-(4-nitrobenzyl)piperidin-1-ium-4-yl]-1-(4-nitrobenzyl)piperidin-1-ium dibromide Formula: C26H36Br2N4O4 MolecularWeight: 628.39644

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2CC[N+](CC2)(C)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-].[Br-].[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)C2CC[N+](CC2)(C)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-].[Br-].[Br-]

InChI

InChI=1S/C26H36N4O4.2BrH/c1-29(19-21-3-7-25(8-4-21)27(31)32)15-11-23(12-16-29)24-13-17-30(2,18-14-24)20-22-5-9-26(10-6-22)28(33)34;;/h3-10,23-24H,11-20H2,1-2H3;2*1H/q+2;;/p-2