3-[[3-chloranyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-chloranyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-chloro-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C21H29Cl3N2O2+2 MolecularWeight: 447.82616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+](C)C)Cl)OCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+](C)C)Cl)OCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H27Cl3N2O2/c1-4-27-20-11-15(13-25-8-5-9-26(2)3)10-19(24)21(20)28-14-16-6-7-17(22)12-18(16)23/h6-7,10-12,25H,4-5,8-9,13-14H2,1-3H3/p+2