2-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylammonio]ethyl-dimethylammonium dichloride IUPAC Name: 2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium dichloride Traditional Name: 2-[[2-(4-chlorobenzyl)oxy-3-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium dichloride Formula: C19H27Cl3N2O2 MolecularWeight: 421.78888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O2.2ClH/c1-22(2)12-11-21-13-16-5-4-6-18(23-3)19(16)24-14-15-7-9-17(20)10-8-15;;/h4-10,21H,11-14H2,1-3H3;2*1H