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

Systemtic Name: (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]propanoate Openeye Name: (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propionate Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+]CC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N2O3/c22-18(16-11-14-8-4-5-9-15(14)12-20-16)21-17(19(23)24)10-13-6-2-1-3-7-13/h1-9,16-17,20H,10-12H2,(H,21,22)(H,23,24)/t16-,17-/m0/s1