3-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium dichloride

Systemtic Name: 3-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium dichloride Openeye Name: 3-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium dichloride CAS Name: 3-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-dimethylammonium dichloride IUPAC Name: 3-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium dichloride Traditional Name: 3-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium dichloride Formula: C19H28Cl3N3O2 MolecularWeight: 436.80352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3O2.2ClH/c1-23(2)10-4-9-21-12-15-5-7-17(18(11-15)24-3)25-14-16-6-8-19(20)22-13-16;;/h5-8,11,13,21H,4,9-10,12,14H2,1-3H3;2*1H