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

Systemtic Name: [3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-hexyl-azanium Openeye Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-hexyl-ammonium CAS Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-hexylammonium IUPAC Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-hexylazanium Traditional Name: [3-bromo-4-(3,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-hexyl-ammonium Formula: C21H27BrCl2NO2+ MolecularWeight: 476.25458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC(=C(C=C2)Cl)Cl)OC

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC(=C(C=C2)Cl)Cl)OC

InChI

InChI=1S/C21H26BrCl2NO2/c1-3-4-5-6-9-25-13-16-10-17(22)21(20(12-16)26-2)27-14-15-7-8-18(23)19(24)11-15/h7-8,10-12,25H,3-6,9,13-14H2,1-2H3/p+1