(2S)-2-azaniumyl-3-(2-chloranyl-3-propan-2-yl-quinolin-6-yl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(2-chloranyl-3-propan-2-yl-quinolin-6-yl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(2-chloro-3-isopropyl-6-quinolyl)propanoate CAS Name: (2S)-2-ammonio-3-(2-chloro-3-propan-2-yl-6-quinolinyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(2-chloro-3-propan-2-ylquinolin-6-yl)propanoate Traditional Name: (2S)-2-ammonio-3-(2-chloro-3-isopropyl-6-quinolyl)propionate Formula: C15H17ClN2O2 MolecularWeight: 292.76068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C2C=CC(=CC2=C1)CC(C(=O)[O-])[NH3+])Cl

Isomeric SMILES

CC(C)C1=C(N=C2C=CC(=CC2=C1)C[C@@H](C(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C15H17ClN2O2/c1-8(2)11-7-10-5-9(6-12(17)15(19)20)3-4-13(10)18-14(11)16/h3-5,7-8,12H,6,17H2,1-2H3,(H,19,20)/t12-/m0/s1