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

Systemtic Name: 2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]amino]acetate CAS Name: 2-[[(2S)-3-methyl-1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]amino]acetate IUPAC Name: 2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]amino]acetate Traditional Name: 2-[[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl]amino]acetate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-11(2)15(16(21)17-9-14(19)20)18-8-7-12-5-3-4-6-13(12)10-18/h3-6,11,15H,7-10H2,1-2H3,(H,17,21)(H,19,20)/t15-/m0/s1