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

Systemtic Name: 3-[(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate Openeye Name: 3-[(1S)-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate CAS Name: 3-[(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate IUPAC Name: 3-[(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate Traditional Name: 3-[(1S)-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propionate Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S/c18-15(19)8-10-17-9-7-12-4-1-2-5-13(12)16(17)14-6-3-11-20-14/h1-6,11,16H,7-10H2,(H,18,19)/t16-/m0/s1