(2S)-4-methyl-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]valerate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-12(2)9-15(17(21)22)18-16(20)11-19-8-7-13-5-3-4-6-14(13)10-19/h3-6,12,15H,7-11H2,1-2H3,(H,18,20)(H,21,22)/t15-/m0/s1