7-[(3S)-3-azanylpiperidin-1-yl]-8-chloranyl-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S)-3-azanylpiperidin-1-yl]-8-chloranyl-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-amino-1-piperidyl]-8-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-piperidinyl]-8-chloro-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S)-3-aminopiperidin-1-yl]-8-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopiperidino]-8-chloro-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)Cl)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)Cl)N

InChI

InChI=1S/C18H20ClN3O3/c19-15-14(21-7-1-2-10(20)8-21)6-5-12-16(15)22(11-3-4-11)9-13(17(12)23)18(24)25/h5-6,9-11H,1-4,7-8,20H2,(H,24,25)/t10-/m0/s1