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

Systemtic Name: 2-[(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoate Openeye Name: 2-[(1S)-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate CAS Name: 2-[(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate IUPAC Name: 2-[(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[(1S)-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetate Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C2=CC=CC=C21)C3=CC=CS3)CC(=O)[O-]

Isomeric SMILES

C1C[NH+]([C@@H](C2=CC=CC=C21)C3=CC=CS3)CC(=O)[O-]

InChI

InChI=1S/C15H15NO2S/c17-14(18)10-16-8-7-11-4-1-2-5-12(11)15(16)13-6-3-9-19-13/h1-6,9,15H,7-8,10H2,(H,17,18)/t15-/m0/s1