4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C19H21N4S+ MolecularWeight: 337.46184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C19H20N4S/c1-2-5-16(6-3-1)7-4-9-22-10-12-23(13-11-22)18-17-8-14-24-19(17)21-15-20-18/h1-8,14-15H,9-13H2/p+1/b7-4+