2-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: 2-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: 2-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: 2-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: 2-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: 2-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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCN(C1)C2=C(C=C3C(=C2)[N+](C(C(=O)C3=O)N)(C4CC4)C(=O)O)F)N

Isomeric SMILES

CC(C)(C1CCN(C1)C2=C(C=C3C(=C2)[N+](C(C(=O)C3=O)N)(C4CC4)C(=O)O)F)N

InChI

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