7-[4-(aminomethyl)piperidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(aminomethyl)piperidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(aminomethyl)-1-piperidyl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(aminomethyl)-1-piperidinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(aminomethyl)piperidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(aminomethyl)piperidino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)CN)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)CN)F)C(=O)O

InChI

InChI=1S/C18H22FN3O3/c1-2-21-10-13(18(24)25)17(23)12-7-14(19)16(8-15(12)21)22-5-3-11(9-20)4-6-22/h7-8,10-11H,2-6,9,20H2,1H3,(H,24,25)