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

Systemtic Name: 2-[[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]acetate CAS Name: 2-[[(2S)-1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]amino]acetate IUPAC Name: 2-[[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]acetate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-10(14(19)15-8-13(17)18)16-7-6-11-4-2-3-5-12(11)9-16/h2-5,10H,6-9H2,1H3,(H,15,19)(H,17,18)/t10-/m0/s1