2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride

Systemtic Name: 2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride Openeye Name: 2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride CAS Name: 2-(1-isoquinolin-2-iumyl)-1-(6-methoxy-4-quinolin-1-iumyl)ethanol dichloride IUPAC Name: 2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride Traditional Name: 2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride Formula: C21H20Cl2N2O2 MolecularWeight: 403.3017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C[NH+]=C2C=C1)C(CC3=[NH+]C=CC4=CC=CC=C43)O.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C[NH+]=C2C=C1)C(CC3=[NH+]C=CC4=CC=CC=C43)O.[Cl-].[Cl-]

InChI

InChI=1S/C21H18N2O2.2ClH/c1-25-15-6-7-19-18(12-15)17(9-11-22-19)21(24)13-20-16-5-3-2-4-14(16)8-10-23-20;;/h2-12,21,24H,13H2,1H3;2*1H