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

Systemtic Name: 3-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-(2,4-dichlorobenzyl)oxy-3-ethoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C21H30Cl2N2O2+2 MolecularWeight: 413.3811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28Cl2N2O2/c1-4-26-21-12-16(14-24-10-5-11-25(2)3)6-9-20(21)27-15-17-7-8-18(22)13-19(17)23/h6-9,12-13,24H,4-5,10-11,14-15H2,1-3H3/p+2