9-methyl-7-[(E)-3-phenylprop-2-enyl]purin-9-ium-6-amine

Systemtic Name: 9-methyl-7-[(E)-3-phenylprop-2-enyl]purin-9-ium-6-amine Openeye Name: 7-[(E)-cinnamyl]-9-methyl-purin-9-ium-6-amine CAS Name: 9-methyl-7-[(E)-3-phenylprop-2-enyl]-6-purin-9-iumamine IUPAC Name: 9-methyl-7-[(E)-3-phenylprop-2-enyl]purin-9-ium-6-amine Traditional Name: [7-[(E)-cinnamyl]-9-methyl-purin-9-ium-6-yl]amine Formula: C15H16N5+ MolecularWeight: 266.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1N=CN=C2N)CC=CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C2=C1N=CN=C2N)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C15H16N5/c1-19-11-20(13-14(16)17-10-18-15(13)19)9-5-8-12-6-3-2-4-7-12/h2-8,10-11H,9H2,1H3,(H2,16,17,18)/q+1/b8-5+