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

Systemtic Name: 1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-pyrrolidin-1-yl-pyridin-1-ium bromide Openeye Name: 1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-pyrrolidin-1-yl-pyridin-1-ium bromide CAS Name: 1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-(1-pyrrolidinyl)pyridin-1-ium bromide IUPAC Name: 1-[[3,5-bis(bromomethyl)phenyl]methyl]-4-pyrrolidin-1-ylpyridin-1-ium bromide Traditional Name: 1-[3,5-bis(bromomethyl)benzyl]-4-pyrrolidino-pyridin-1-ium bromide Formula: C18H21Br3N2 MolecularWeight: 505.08474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)CBr)CBr.[Br-]

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)CBr)CBr.[Br-]

InChI

InChI=1S/C18H21Br2N2.BrH/c19-12-15-9-16(13-20)11-17(10-15)14-21-7-3-18(4-8-21)22-5-1-2-6-22;/h3-4,7-11H,1-2,5-6,12-14H2;1H/q+1;/p-1