(2R,4S)-1-(7-chloranylquinolin-1-ium-4-yl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-(7-chloranylquinolin-1-ium-4-yl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(7-chloroquinolin-1-ium-4-yl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(7-chloro-4-quinolin-1-iumyl)-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(7-chloroquinolin-1-ium-4-yl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(7-chloroquinolin-1-ium-4-yl)-4-hydroxy-pyrrolidine-2-carboxylate Formula: C14H13ClN2O3 MolecularWeight: 292.71762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)[O-])C2=C3C=CC(=CC3=[NH+]C=C2)Cl)O

Isomeric SMILES

C1[C@@H](CN([C@H]1C(=O)[O-])C2=C3C=CC(=CC3=[NH+]C=C2)Cl)O

InChI

InChI=1S/C14H13ClN2O3/c15-8-1-2-10-11(5-8)16-4-3-12(10)17-7-9(18)6-13(17)14(19)20/h1-5,9,13,18H,6-7H2,(H,19,20)/t9-,13+/m0/s1