1-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridin-1-ium bromide

Systemtic Name: 1-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridin-1-ium bromide Openeye Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridin-1-ium bromide CAS Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridin-1-ium bromide IUPAC Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridin-1-ium bromide Traditional Name: 1-[5-bromo-2-(4-chlorobenzyl)oxy-benzyl]pyridin-1-ium bromide Formula: C19H16Br2ClNO MolecularWeight: 469.59744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C19H16BrClNO.BrH/c20-17-6-9-19(23-14-15-4-7-18(21)8-5-15)16(12-17)13-22-10-2-1-3-11-22;/h1-12H,13-14H2;1H/q+1;/p-1