(3S)-3-azaniumyl-3-(3-chloranyl-4-methyl-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-chloranyl-4-methyl-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-chloro-4-methyl-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-chloro-4-methylphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-chloro-4-methylphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-chloro-4-methyl-phenyl)propionate Formula: C10H12ClNO2 MolecularWeight: 213.66078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])Cl

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClNO2/c1-6-2-3-7(4-8(6)11)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m0/s1