(2S)-2-azaniumyl-3-[2-chloranyl-3-(4-methylphenyl)quinolin-6-yl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[2-chloranyl-3-(4-methylphenyl)quinolin-6-yl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[2-chloro-3-(p-tolyl)-6-quinolyl]propanoate CAS Name: (2S)-2-ammonio-3-[2-chloro-3-(4-methylphenyl)-6-quinolinyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[2-chloro-3-(4-methylphenyl)quinolin-6-yl]propanoate Traditional Name: (2S)-2-ammonio-3-[2-chloro-3-(p-tolyl)-6-quinolyl]propionate Formula: C19H17ClN2O2 MolecularWeight: 340.80348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C3C=CC(=CC3=C2)CC(C(=O)[O-])[NH3+])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C3C=CC(=CC3=C2)C[C@@H](C(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C19H17ClN2O2/c1-11-2-5-13(6-3-11)15-10-14-8-12(9-16(21)19(23)24)4-7-17(14)22-18(15)20/h2-8,10,16H,9,21H2,1H3,(H,23,24)/t16-/m0/s1