6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purin-2-amine

Systemtic Name: 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purin-2-amine Openeye Name: 6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-7H-purin-2-amine CAS Name: 6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-7H-purin-2-amine IUPAC Name: 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purin-2-amine Traditional Name: [6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-7H-purin-2-yl]amine Formula: C18H22N7+ MolecularWeight: 336.41418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)N

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)N

InChI

InChI=1S/C18H21N7/c19-18-22-16-15(20-13-21-16)17(23-18)25-11-9-24(10-12-25)8-4-7-14-5-2-1-3-6-14/h1-7,13H,8-12H2,(H3,19,20,21,22,23)/p+1/b7-4+