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

Systemtic Name: 3-[[3-chloranyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-chloro-4-(2-chlorobenzyl)oxy-5-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)Cl)OCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+](C)C)Cl)OCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H28Cl2N2O2/c1-4-26-20-13-16(14-24-10-7-11-25(2)3)12-19(23)21(20)27-15-17-8-5-6-9-18(17)22/h5-6,8-9,12-13,24H,4,7,10-11,14-15H2,1-3H3/p+2