(2R)-2-azaniumyl-3-(2-chloranyl-3-thiophen-2-yl-quinolin-6-yl)propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(2-chloranyl-3-thiophen-2-yl-quinolin-6-yl)propanoate Openeye Name: (2R)-2-azaniumyl-3-[2-chloro-3-(2-thienyl)-6-quinolyl]propanoate CAS Name: (2R)-2-ammonio-3-(2-chloro-3-thiophen-2-yl-6-quinolinyl)propanoate IUPAC Name: (2R)-2-azaniumyl-3-(2-chloro-3-thiophen-2-ylquinolin-6-yl)propanoate Traditional Name: (2R)-2-ammonio-3-[2-chloro-3-(2-thienyl)-6-quinolyl]propionate Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(N=C3C=CC(=CC3=C2)CC(C(=O)[O-])[NH3+])Cl

Isomeric SMILES

C1=CSC(=C1)C2=C(N=C3C=CC(=CC3=C2)C[C@H](C(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C16H13ClN2O2S/c17-15-11(14-2-1-5-22-14)8-10-6-9(3-4-13(10)19-15)7-12(18)16(20)21/h1-6,8,12H,7,18H2,(H,20,21)/t12-/m1/s1