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

Systemtic Name: [3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-bromo-4-(2-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=CC=C3Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23BrClN3O2/c1-27-20-12-16(13-24-7-4-9-26-10-8-25-15-26)11-18(22)21(20)28-14-17-5-2-3-6-19(17)23/h2-3,5-6,8,10-12,15,24H,4,7,9,13-14H2,1H3/p+1