7-[4,4-dimethyl-3-[(Z)-oct-2-en-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4,4-dimethyl-3-[(Z)-oct-2-en-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-[3-[(1Z)-1-ethylidenehexyl]-4,4-dimethyl-piperazin-4-ium-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4,4-dimethyl-3-[(Z)-oct-2-en-3-yl]-1-piperazin-4-iumyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4,4-dimethyl-3-[(Z)-oct-2-en-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[(Z)-1-amylprop-1-enyl]-4,4-dimethyl-piperazin-4-ium-1-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H37FN3O3+ MolecularWeight: 458.588683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC)C1CN(CC[N+]1(C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCC/C(=C/C)/C1CN(CC[N+]1(C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C26H36FN3O3/c1-6-9-10-11-18(7-2)24-17-29(12-13-30(24,4)5)23-15-22-19(14-21(23)27)25(31)20(26(32)33)16-28(22)8-3/h7,14-16,24H,6,8-13,17H2,1-5H3/p+1/b18-7-