7-[[(2S)-2-azaniumylpropyl]amino]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-[[(2S)-2-azaniumylpropyl]amino]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[[(2S)-2-azaniumylpropyl]amino]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylate CAS Name: 7-[[(2S)-2-ammoniopropyl]amino]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[[(2S)-2-azaniumylpropyl]amino]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate Traditional Name: 7-[[(2S)-2-ammoniopropyl]amino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylate Formula: C17H20FN3O4 MolecularWeight: 349.356803

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)[O-])C3CC3)F)[NH3+]

Isomeric SMILES

C[C@@H](CNC1=C(C=C2C(=C1OC)N(C=C(C2=O)C(=O)[O-])C3CC3)F)[NH3+]

InChI

InChI=1S/C17H20FN3O4/c1-8(19)6-20-13-12(18)5-10-14(16(13)25-2)21(9-3-4-9)7-11(15(10)22)17(23)24/h5,7-9,20H,3-4,6,19H2,1-2H3,(H,23,24)/t8-/m0/s1