ethyl (1S)-6-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-carboxylate

Systemtic Name: ethyl (1S)-6-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-carboxylate Openeye Name: ethyl (1S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-carboxylate CAS Name: (1S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-carboxylate Traditional Name: (1S)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-carboxylic acid ethyl ester Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(CC[NH2+]1)C=C(C=C2)O

Isomeric SMILES

CCOC(=O)[C@@H]1C2=C(CC[NH2+]1)C=C(C=C2)O

InChI

InChI=1S/C12H15NO3/c1-2-16-12(15)11-10-4-3-9(14)7-8(10)5-6-13-11/h3-4,7,11,13-14H,2,5-6H2,1H3/p+1/t11-/m0/s1