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

Systemtic Name: (2R)-3-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]butanoate Openeye Name: (2R)-3-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]butanoate CAS Name: (2R)-3-methyl-2-[[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]amino]butanoate IUPAC Name: (2R)-3-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]butanoate Traditional Name: (2R)-3-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]butyrate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-9(2)13(15(19)20)17-14(18)12-7-10-5-3-4-6-11(10)8-16-12/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t12-,13+/m0/s1