(3S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-3-phenyl-propanoate

Systemtic Name: (3S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-3-phenyl-propanoate Openeye Name: (3S)-3-isoindolin-2-ium-2-yl-3-phenyl-propanoate CAS Name: (3S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-3-phenylpropanoate IUPAC Name: (3S)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-3-phenylpropanoate Traditional Name: (3S)-3-isoindolin-2-ium-2-yl-3-phenyl-propionate Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C[NH+]1C(CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2C[NH+]1[C@@H](CC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H17NO2/c19-17(20)10-16(13-6-2-1-3-7-13)18-11-14-8-4-5-9-15(14)12-18/h1-9,16H,10-12H2,(H,19,20)/t16-/m0/s1