1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-piperidin-1-yl-pyridin-1-ium bromide

Systemtic Name: 1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-piperidin-1-yl-pyridin-1-ium bromide Openeye Name: 1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-(1-piperidyl)pyridin-1-ium bromide CAS Name: 1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-(1-piperidinyl)pyridin-1-ium bromide IUPAC Name: 1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-piperidin-1-ylpyridin-1-ium bromide Traditional Name: 1-[3,5-bis(bromomethyl)benzyl]-4-piperidino-pyridin-1-ium bromide Formula: C19H23Br3N2 MolecularWeight: 519.11132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23Br2N2.BrH/c20-13-16-10-17(14-21)12-18(11-16)15-22-8-4-19(5-9-22)23-6-2-1-3-7-23;/h4-5,8-12H,1-3,6-7,13-15H2;1H/q+1;/p-1