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

Systemtic Name: 2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate Openeye Name: 2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate CAS Name: 2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate IUPAC Name: 2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate Traditional Name: 2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionate Formula: C14H19NO2 MolecularWeight: 233.30616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-14(2,13(16)17)10-15-8-7-11-5-3-4-6-12(11)9-15/h3-6H,7-10H2,1-2H3,(H,16,17)