(2S)-2-(4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate

Systemtic Name: (2S)-2-(4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate Openeye Name: (2S)-2-(p-tolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate CAS Name: (2S)-2-(4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate IUPAC Name: (2S)-2-(4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Traditional Name: (2S)-2-(p-tolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)[O-])[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H19NO2/c1-13-6-8-15(9-7-13)17(18(20)21)19-11-10-14-4-2-3-5-16(14)12-19/h2-9,17H,10-12H2,1H3,(H,20,21)/t17-/m0/s1