2-methylisoquinolin-2-ium-3-carboxylic acid

Systemtic Name: 2-methylisoquinolin-2-ium-3-carboxylic acid Openeye Name: 2-methylisoquinolin-2-ium-3-carboxylic acid CAS Name: 2-methyl-3-isoquinolin-2-iumcarboxylic acid IUPAC Name: 2-methylisoquinolin-2-ium-3-carboxylic acid Traditional Name: 2-methylisoquinolin-2-ium-3-carboxylic acid Formula: C11H10NO2+ MolecularWeight: 188.2026

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C=C1C(=O)O

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C11H9NO2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14/h2-7H,1H3/p+1