8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[1-(tert-butoxycarbonylamino)-3-methyl-pyrrolidin-1-ium-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidin-1-iumyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-ium-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[1-(tert-butoxycarbonylamino)-3-methyl-pyrrolidin-1-ium-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H28ClFN3O5+ MolecularWeight: 480.936923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](C1)(C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1CC[N+](C1)(C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H27ClFN3O5/c1-12-7-8-28(11-12,26-22(32)33-23(2,3)4)19-16(25)9-14-18(17(19)24)27(13-5-6-13)10-15(20(14)29)21(30)31/h9-10,12-13H,5-8,11H2,1-4H3,(H-,26,30,31,32)/p+1