6-isoquinolin-2-ium-4-yl-2,3-dimethoxy-benzoic acid chloride

Systemtic Name: 6-isoquinolin-2-ium-4-yl-2,3-dimethoxy-benzoic acid chloride Openeye Name: 6-isoquinolin-2-ium-4-yl-2,3-dimethoxy-benzoic acid chloride CAS Name: 6-(4-isoquinolin-2-iumyl)-2,3-dimethoxybenzoic acid chloride IUPAC Name: 6-isoquinolin-2-ium-4-yl-2,3-dimethoxybenzoic acid chloride Traditional Name: 6-isoquinolin-2-ium-4-yl-2,3-dimethoxy-benzoic acid chloride Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=C[NH+]=CC3=CC=CC=C32)C(=O)O)OC.[Cl-]

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=C[NH+]=CC3=CC=CC=C32)C(=O)O)OC.[Cl-]

InChI

InChI=1S/C18H15NO4.ClH/c1-22-15-8-7-13(16(18(20)21)17(15)23-2)14-10-19-9-11-5-3-4-6-12(11)14;/h3-10H,1-2H3,(H,20,21);1H