methyl 1,2,3,4-tetrahydroisoquinolin-2-ium-5-carboxylate

Systemtic Name: methyl 1,2,3,4-tetrahydroisoquinolin-2-ium-5-carboxylate Openeye Name: methyl 1,2,3,4-tetrahydroisoquinolin-2-ium-5-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinolin-2-ium-5-carboxylic acid methyl ester IUPAC Name: methyl 1,2,3,4-tetrahydroisoquinolin-2-ium-5-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinolin-2-ium-5-carboxylic acid methyl ester Formula: C11H14NO2+ MolecularWeight: 192.23436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CC[NH2+]CC2=CC=C1

Isomeric SMILES

COC(=O)C1=C2CC[NH2+]CC2=CC=C1

InChI

InChI=1S/C11H13NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-4,12H,5-7H2,1H3/p+1