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

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H23BrCl2N3O2+ MolecularWeight: 500.23622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrCl2N3O2/c1-28-20-10-15(12-25-5-2-7-27-8-6-26-14-27)9-18(22)21(20)29-13-16-3-4-17(23)11-19(16)24/h3-4,6,8-11,14,25H,2,5,7,12-13H2,1H3/p+1