7-[(3S,5S)-3-azanyl-5-methoxy-piperidin-1-yl]-8-chloranyl-1-cyclopropyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,5S)-3-azanyl-5-methoxy-piperidin-1-yl]-8-chloranyl-1-cyclopropyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,5S)-3-amino-5-methoxy-1-piperidyl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,5S)-3-amino-5-methoxy-1-piperidinyl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,5S)-3-amino-5-methoxypiperidin-1-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,5S)-3-amino-5-methoxy-piperidino]-8-chloro-1-cyclopropyl-6-hydroxy-4-keto-quinoline-3-carboxylic acid Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(CN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)O)N

Isomeric SMILES

CO[C@H]1C[C@@H](CN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)O)N

InChI

InChI=1S/C19H22ClN3O5/c1-28-11-4-9(21)6-22(7-11)17-14(24)5-12-16(15(17)20)23(10-2-3-10)8-13(18(12)25)19(26)27/h5,8-11,24H,2-4,6-7,21H2,1H3,(H,26,27)/t9-,11-/m0/s1