[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [5-bromo-2-(2,4-dichlorobenzyl)oxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C20H21BrCl2N3O+ MolecularWeight: 470.21024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3C=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C20H20BrCl2N3O/c21-17-3-5-20(27-13-15-2-4-18(22)11-19(15)23)16(10-17)12-24-6-1-8-26-9-7-25-14-26/h2-5,7,9-11,14,24H,1,6,8,12-13H2/p+1