prop-2-enyl 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate chloride

Systemtic Name: prop-2-enyl 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate chloride Openeye Name: allyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate chloride CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylic acid prop-2-enyl ester chloride IUPAC Name: prop-2-enyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate chloride Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazin-4-ium-1-yl-quinoline-3-carboxylic acid allyl ester chloride Formula: C20H23ClFN3O3 MolecularWeight: 407.866323

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CC[NH2+]CC3)C4CC4.[Cl-]

Isomeric SMILES

C=CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CC[NH2+]CC3)C4CC4.[Cl-]

InChI

InChI=1S/C20H22FN3O3.ClH/c1-2-9-27-20(26)15-12-24(13-3-4-13)17-11-18(23-7-5-22-6-8-23)16(21)10-14(17)19(15)25;/h2,10-13,22H,1,3-9H2;1H