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

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]pyrimidine Formula: C17H21N4+ MolecularWeight: 281.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4/c1-2-6-16(7-3-1)8-4-11-20-12-14-21(15-13-20)17-18-9-5-10-19-17/h1-10H,11-15H2/p+1/b8-4+