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

Systemtic Name: (2R,4S)-1-(7-chloranylquinolin-1-ium-4-yl)-4-methoxy-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(7-chloroquinolin-1-ium-4-yl)-4-methoxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(7-chloro-4-quinolin-1-iumyl)-4-methoxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(7-chloroquinolin-1-ium-4-yl)-4-methoxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(7-chloroquinolin-1-ium-4-yl)-4-methoxy-pyrrolidine-2-carboxylate Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O3/c1-21-10-7-14(15(19)20)18(8-10)13-4-5-17-12-6-9(16)2-3-11(12)13/h2-6,10,14H,7-8H2,1H3,(H,19,20)/t10-,14+/m0/s1