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

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H24BrClN3O2+ MolecularWeight: 465.79116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23BrClN3O2/c1-27-20-12-17(13-24-7-2-9-26-10-8-25-15-26)11-19(22)21(20)28-14-16-3-5-18(23)6-4-16/h3-6,8,10-12,15,24H,2,7,9,13-14H2,1H3/p+1