7-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-1-ethyl-6-fluoranyl-3-nitro-quinolin-4-one

Systemtic Name: 7-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-1-ethyl-6-fluoranyl-3-nitro-quinolin-4-one Openeye Name: 7-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-1-ethyl-6-fluoro-3-nitro-quinolin-4-one CAS Name: 7-[(3R,5R)-3,5-dimethyl-1-piperazin-4-iumyl]-1-ethyl-6-fluoro-3-nitro-4-quinolinone IUPAC Name: 7-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-1-ethyl-6-fluoro-3-nitroquinolin-4-one Traditional Name: 7-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-1-ethyl-6-fluoro-3-nitro-4-quinolone Formula: C17H22FN4O3+ MolecularWeight: 349.379983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC([NH2+]C(C3)C)C)F)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C[C@H]([NH2+][C@@H](C3)C)C)F)[N+](=O)[O-]

InChI

InChI=1S/C17H21FN4O3/c1-4-20-9-16(22(24)25)17(23)12-5-13(18)15(6-14(12)20)21-7-10(2)19-11(3)8-21/h5-6,9-11,19H,4,7-8H2,1-3H3/p+1/t10-,11-/m1/s1