6-fluoranyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thiochromen-4-one

Systemtic Name: 6-fluoranyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thiochromen-4-one Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-6-fluoro-thiochromen-4-one CAS Name: 6-fluoro-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-benzothiopyran-4-one IUPAC Name: 6-fluoro-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thiochromen-4-one Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-6-fluoro-thiochromen-4-one Formula: C22H22FN2OS+ MolecularWeight: 381.486283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C22H21FN2OS/c23-18-8-9-21-19(15-18)22(26)20(16-27-21)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15-16H,10-14H2/p+1/b7-4+