1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylate; 2-hydroxyethyl(trimethyl)ammonium Formula: C21H31FN4O4 MolecularWeight: 422.493643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)[O-].C[N+](C)(C)CCO

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)[O-].C[N+](C)(C)CCO

InChI

InChI=1S/C16H18FN3O3.C5H14NO/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;1-6(2,3)4-5-7/h7-9,18H,2-6H2,1H3,(H,22,23);7H,4-5H2,1-3H3/q;+1/p-1