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

Systemtic Name: 6-methoxy-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-methoxy-thiochromen-4-one CAS Name: 6-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-benzothiopyran-4-one IUPAC Name: 6-methoxy-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-methoxy-thiochromen-4-one Formula: C23H25N2O2S+ MolecularWeight: 393.5218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC=C(C2=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC=C(C2=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O2S/c1-27-19-9-10-22-20(16-19)23(26)21(17-28-22)25-14-12-24(13-15-25)11-5-8-18-6-3-2-4-7-18/h2-10,16-17H,11-15H2,1H3/p+1/b8-5+