(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate

Systemtic Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate Openeye Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate CAS Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate IUPAC Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate Traditional Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyrate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-10(2)13(14(16)17)15-8-7-11-5-3-4-6-12(11)9-15/h3-6,10,13H,7-9H2,1-2H3,(H,16,17)/t13-/m0/s1