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

Systemtic Name: (2R)-2-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]ethanoate Openeye Name: (2R)-2-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]acetate CAS Name: (2R)-2-[[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]amino]-2-phenylacetate IUPAC Name: (2R)-2-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]acetate Traditional Name: (2R)-2-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]acetate Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+]CC2=CC=CC=C21)C(=O)N[C@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H18N2O3/c21-17(15-10-13-8-4-5-9-14(13)11-19-15)20-16(18(22)23)12-6-2-1-3-7-12/h1-9,15-16,19H,10-11H2,(H,20,21)(H,22,23)/t15-,16+/m0/s1