3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate

Systemtic Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate Openeye Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate CAS Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate IUPAC Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate Traditional Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionate Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2/c14-12(15)6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9H2,(H,14,15)