3-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-thiochromen-4-one

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-thiochromen-4-one Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-thiochromen-4-one CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-1-benzothiopyran-4-one IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-fluorothiochromen-4-one Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-thiochromen-4-one Formula: C15H18FN2OS+ MolecularWeight: 293.379623

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)F

InChI

InChI=1S/C15H17FN2OS/c1-2-17-5-7-18(8-6-17)13-10-20-14-4-3-11(16)9-12(14)15(13)19/h3-4,9-10H,2,5-8H2,1H3/p+1