5-azanyl-7-[3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-3,4-bis(oxidanylidene)-2H-quinolin-1-ium-1-carboxylic acid

Systemtic Name: 5-azanyl-7-[3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-3,4-bis(oxidanylidene)-2H-quinolin-1-ium-1-carboxylic acid Openeye Name: 5-amino-7-[3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3,4-dioxo-2H-quinolin-1-ium-1-carboxylic acid CAS Name: 5-amino-7-[3-(2-aminopropan-2-yl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-3,4-dioxo-2H-quinolin-1-ium-1-carboxylic acid IUPAC Name: 5-amino-7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3,4-dioxo-2H-quinolin-1-ium-1-carboxylic acid Traditional Name: 5-amino-7-[3-(1-amino-1-methyl-ethyl)pyrrolidino]-1-cyclopropyl-6-fluoro-3,4-diketo-2H-quinolin-1-ium-1-carboxylic acid Formula: C20H26FN4O4+ MolecularWeight: 405.443243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCN(C1)C2=CC3=C(C(=C2F)N)C(=O)C(=O)C[N+]3(C4CC4)C(=O)O)N

Isomeric SMILES

CC(C)(C1CCN(C1)C2=CC3=C(C(=C2F)N)C(=O)C(=O)C[N+]3(C4CC4)C(=O)O)N

InChI

InChI=1S/C20H25FN4O4/c1-20(2,23)10-5-6-24(8-10)12-7-13-15(17(22)16(12)21)18(27)14(26)9-25(13,19(28)29)11-3-4-11/h7,10-11H,3-6,8-9,23H2,1-2H3,(H2-,22,27,28,29)/p+1