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

Systemtic Name: (2R)-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]propanoate Openeye Name: (2R)-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propanoate CAS Name: (2R)-2-[[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]amino]propanoate IUPAC Name: (2R)-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propionate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1CC2=CC=CC=C2C[NH2+]1

Isomeric SMILES

C[C@H](C(=O)[O-])NC(=O)[C@@H]1CC2=CC=CC=C2C[NH2+]1

InChI

InChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)11-6-9-4-2-3-5-10(9)7-14-11/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,11+/m1/s1