[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: benzyl-[3-bromo-4-(4-chlorobenzyl)oxy-benzyl]ammonium Formula: C21H20BrClNO+ MolecularWeight: 417.7466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)Br

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C21H19BrClNO/c22-20-12-18(14-24-13-16-4-2-1-3-5-16)8-11-21(20)25-15-17-6-9-19(23)10-7-17/h1-12,24H,13-15H2/p+1