4-piperidin-1-yl-1-[[3-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium dibromide

Systemtic Name: 4-piperidin-1-yl-1-[[3-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium dibromide Openeye Name: 4-(1-piperidyl)-1-[[3-[[4-(1-piperidyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium dibromide CAS Name: 4-(1-piperidinyl)-1-[[3-[[4-(1-piperidinyl)-1-pyridin-1-iumyl]methyl]phenyl]methyl]pyridin-1-ium dibromide IUPAC Name: 4-piperidin-1-yl-1-[[3-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium dibromide Traditional Name: 4-piperidino-1-[3-[(4-piperidinopyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium dibromide Formula: C28H36Br2N4 MolecularWeight: 588.42024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=[N+](C=C2)CC3=CC(=CC=C3)C[N+]4=CC=C(C=C4)N5CCCCC5.[Br-].[Br-]

Isomeric SMILES

C1CCN(CC1)C2=CC=[N+](C=C2)CC3=CC(=CC=C3)C[N+]4=CC=C(C=C4)N5CCCCC5.[Br-].[Br-]

InChI

InChI=1S/C28H36N4.2BrH/c1-3-14-31(15-4-1)27-10-18-29(19-11-27)23-25-8-7-9-26(22-25)24-30-20-12-28(13-21-30)32-16-5-2-6-17-32;;/h7-13,18-22H,1-6,14-17,23-24H2;2*1H/q+2;;/p-2