3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C21H23N3OS/c26-21-24(19-10-4-5-11-20(19)25-21)17-23-15-13-22(14-16-23)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2/p+1/b9-6+