(2R)-2-(3H-isoindol-2-ium-1-ylamino)-3-phenyl-propanoate

Systemtic Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-3-phenyl-propanoate Openeye Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-3-phenyl-propanoate CAS Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-3-phenylpropanoate IUPAC Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-3-phenylpropanoate Traditional Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-3-phenyl-propionate Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[NH+]1)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[NH+]1)N[C@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H16N2O2/c20-17(21)15(10-12-6-2-1-3-7-12)19-16-14-9-5-4-8-13(14)11-18-16/h1-9,15H,10-11H2,(H,18,19)(H,20,21)/t15-/m1/s1