[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C20H22BrClN3O+ MolecularWeight: 435.76518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)C[NH2+]CCCN3C=CN=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)C[NH2+]CCCN3C=CN=C3)Br)Cl

InChI

InChI=1S/C20H21BrClN3O/c21-19-12-17(13-23-8-1-10-25-11-9-24-15-25)4-7-20(19)26-14-16-2-5-18(22)6-3-16/h2-7,9,11-12,15,23H,1,8,10,13-14H2/p+1