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

Systemtic Name: 2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate Openeye Name: 2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate CAS Name: 2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate IUPAC Name: 2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate Traditional Name: 2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)(C(=O)[O-])[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C13H17NO2/c1-13(2,12(15)16)14-8-7-10-5-3-4-6-11(10)9-14/h3-6H,7-9H2,1-2H3,(H,15,16)