(2R)-2-azanyl-3-(1-oxidanidylquinolin-1-ium-4-yl)sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-(1-oxidanidylquinolin-1-ium-4-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-(1-oxidoquinolin-1-ium-4-yl)sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[(1-oxido-4-quinolin-1-iumyl)thio]propanoic acid IUPAC Name: (2R)-2-amino-3-(1-oxidoquinolin-1-ium-4-yl)sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[(1-oxidoquinolin-1-ium-4-yl)thio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[N+]2[O-])SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[N+]2[O-])SC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H12N2O3S/c13-9(12(15)16)7-18-11-5-6-14(17)10-4-2-1-3-8(10)11/h1-6,9H,7,13H2,(H,15,16)/t9-/m0/s1