3-[[3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-bromo-4-(3,4-dichlorobenzyl)oxy-5-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C20H27BrCl2N2O2+2 MolecularWeight: 478.25058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrCl2N2O2/c1-25(2)8-4-7-24-12-15-9-16(21)20(19(11-15)26-3)27-13-14-5-6-17(22)18(23)10-14/h5-6,9-11,24H,4,7-8,12-13H2,1-3H3/p+2