methyl 2-(7,8-dimethoxyisoquinolin-2-ium-4-yl)ethanoate chloride

Systemtic Name: methyl 2-(7,8-dimethoxyisoquinolin-2-ium-4-yl)ethanoate chloride Openeye Name: methyl 2-(7,8-dimethoxyisoquinolin-2-ium-4-yl)acetate chloride CAS Name: 2-(7,8-dimethoxy-4-isoquinolin-2-iumyl)acetic acid methyl ester chloride IUPAC Name: methyl 2-(7,8-dimethoxyisoquinolin-2-ium-4-yl)acetate chloride Traditional Name: 2-(7,8-dimethoxyisoquinolin-2-ium-4-yl)acetic acid methyl ester chloride Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[NH+]=CC(=C2C=C1)CC(=O)OC)OC.[Cl-]

Isomeric SMILES

COC1=C(C2=C[NH+]=CC(=C2C=C1)CC(=O)OC)OC.[Cl-]

InChI

InChI=1S/C14H15NO4.ClH/c1-17-12-5-4-10-9(6-13(16)18-2)7-15-8-11(10)14(12)19-3;/h4-5,7-8H,6H2,1-3H3;1H