[3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: benzyl-[3-bromo-4-(3,4-dichlorobenzyl)oxy-5-methoxy-benzyl]ammonium Formula: C22H21BrCl2NO2+ MolecularWeight: 482.21764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H20BrCl2NO2/c1-27-21-11-17(13-26-12-15-5-3-2-4-6-15)9-18(23)22(21)28-14-16-7-8-19(24)20(25)10-16/h2-11,26H,12-14H2,1H3/p+1