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

Systemtic Name: 7-[3-(aminomethyl)-4-methyl-pyrrolidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)-4-methyl-pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-4-methyl-1-pyrrolidinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)-4-methylpyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)-4-methyl-pyrrolidino]-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)N3CC(C(C3)CN)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC(C(C3)CN)C)F)C(=O)O

InChI

InChI=1S/C18H22FN3O3/c1-3-21-9-13(18(24)25)17(23)12-4-14(19)16(5-15(12)21)22-7-10(2)11(6-20)8-22/h4-5,9-11H,3,6-8,20H2,1-2H3,(H,24,25)