2-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]ethanoate

Systemtic Name: 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]ethanoate Openeye Name: 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]acetate CAS Name: 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]acetate IUPAC Name: 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]acetate Traditional Name: 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]acetate Formula: C11H13NO2 MolecularWeight: 191.22642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2/c13-11(14)6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1