methyl (3S)-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate chloride

Systemtic Name: methyl (3S)-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate chloride Openeye Name: methyl (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate chloride CAS Name: (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester chloride IUPAC Name: methyl (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate chloride Traditional Name: (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester chloride Formula: C11H14ClNO3 MolecularWeight: 243.68676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C[NH2+]1)C=C(C=C2)O.[Cl-]

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(C[NH2+]1)C=C(C=C2)O.[Cl-]

InChI

InChI=1S/C11H13NO3.ClH/c1-15-11(14)10-5-7-2-3-9(13)4-8(7)6-12-10;/h2-4,10,12-13H,5-6H2,1H3;1H/t10-;/m0./s1