2-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]azaniumyloxyethyl-diethyl-azanium dichloride

Systemtic Name: 2-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]azaniumyloxyethyl-diethyl-azanium dichloride Openeye Name: 2-[(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methylene]ammoniooxyethyl-diethyl-ammonium dichloride CAS Name: 2-[(6,7-dimethoxy-1-isoquinolinyl)-(3,4-dimethoxyphenyl)methylidene]ammoniooxyethyl-diethylammonium dichloride IUPAC Name: 2-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]azaniumyloxyethyl-diethylazanium dichloride Traditional Name: 2-[(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methylene]ammoniooxyethyl-diethyl-ammonium dichloride Formula: C26H35Cl2N3O5 MolecularWeight: 540.4792

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCO[NH+]=C(C1=CC(=C(C=C1)OC)OC)C2=NC=CC3=CC(=C(C=C32)OC)OC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCO/[NH+]=C(\C1=CC(=C(C=C1)OC)OC)/C2=NC=CC3=CC(=C(C=C32)OC)OC.[Cl-].[Cl-]

InChI

InChI=1S/C26H33N3O5.2ClH/c1-7-29(8-2)13-14-34-28-25(19-9-10-21(30-3)22(16-19)31-4)26-20-17-24(33-6)23(32-5)15-18(20)11-12-27-26;;/h9-12,15-17H,7-8,13-14H2,1-6H3;2*1H/b28-25+;;