2-[[2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]ethanoate

Systemtic Name: 2-[[2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]ethanoate Openeye Name: 2-[[2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]acetate CAS Name: 2-[[2,2-dimethyl-1-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]amino]acetate IUPAC Name: 2-[[2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]acetate Traditional Name: 2-[[2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]acetate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-16(2,15(21)17-9-14(19)20)11-18-8-7-12-5-3-4-6-13(12)10-18/h3-6H,7-11H2,1-2H3,(H,17,21)(H,19,20)