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

Systemtic Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate IUPAC Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Formula: C10H11NO2 MolecularWeight: 177.19984

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+]CC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1