2-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylammonio]ethyl-dimethylammonium dichloride IUPAC Name: 2-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium dichloride Traditional Name: 2-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium dichloride Formula: C18H26Cl3N3O2 MolecularWeight: 422.77694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O2.2ClH/c1-22(2)9-8-20-11-14-4-6-16(17(10-14)23-3)24-13-15-5-7-18(19)21-12-15;;/h4-7,10,12,20H,8-9,11,13H2,1-3H3;2*1H