(3S)-3-azaniumyl-3-[2-(2-chlorophenyl)pyrimidin-5-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[2-(2-chlorophenyl)pyrimidin-5-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-(2-chlorophenyl)pyrimidin-5-yl]propanoate CAS Name: (3S)-3-ammonio-3-[2-(2-chlorophenyl)-5-pyrimidinyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[2-(2-chlorophenyl)pyrimidin-5-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[2-(2-chlorophenyl)pyrimidin-5-yl]propionate Formula: C13H12ClN3O2 MolecularWeight: 277.70628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC=C(C=N2)C(CC(=O)[O-])[NH3+])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC=C(C=N2)[C@H](CC(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C13H12ClN3O2/c14-10-4-2-1-3-9(10)13-16-6-8(7-17-13)11(15)5-12(18)19/h1-4,6-7,11H,5,15H2,(H,18,19)/t11-/m0/s1