isoquinolin-2-ium-1-ylmethyl benzoate chloride

Systemtic Name: isoquinolin-2-ium-1-ylmethyl benzoate chloride Openeye Name: isoquinolin-2-ium-1-ylmethyl benzoate chloride CAS Name: benzoic acid 1-isoquinolin-2-iumylmethyl ester chloride IUPAC Name: isoquinolin-2-ium-1-ylmethyl benzoate chloride Traditional Name: benzoic acid isoquinolin-2-ium-1-ylmethyl ester chloride Formula: C17H14ClNO2 MolecularWeight: 299.75156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=[NH+]C=CC3=CC=CC=C32.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=[NH+]C=CC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C17H13NO2.ClH/c19-17(14-7-2-1-3-8-14)20-12-16-15-9-5-4-6-13(15)10-11-18-16;/h1-11H,12H2;1H