2-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methylammonio]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methylammonio]ethyl-dimethylammonium dichloride IUPAC Name: 2-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethylazanium dichloride Traditional Name: 2-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]ammonio]ethyl-dimethyl-ammonium dichloride Formula: C18H26BrCl2N3O2 MolecularWeight: 467.22794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrN3O2.2ClH/c1-22(2)8-7-21-12-15-9-16(19)18(17(10-15)23-3)24-13-14-5-4-6-20-11-14;;/h4-6,9-11,21H,7-8,12-13H2,1-3H3;2*1H