methyl 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate

Systemtic Name: methyl 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate Openeye Name: methyl 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetic acid methyl ester Formula: C12H16NO2+ MolecularWeight: 206.26094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

COC(=O)C[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C12H15NO2/c1-15-12(14)9-13-7-6-10-4-2-3-5-11(10)8-13/h2-5H,6-9H2,1H3/p+1