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

Systemtic Name: 9-methyl-7-[(E)-3-phenylprop-2-enyl]purin-9-ium-6-amine chloride Openeye Name: 7-[(E)-cinnamyl]-9-methyl-purin-9-ium-6-amine chloride CAS Name: 9-methyl-7-[(E)-3-phenylprop-2-enyl]-6-purin-9-iumamine chloride IUPAC Name: 9-methyl-7-[(E)-3-phenylprop-2-enyl]purin-9-ium-6-amine chloride Traditional Name: [7-[(E)-cinnamyl]-9-methyl-purin-9-ium-6-yl]amine chloride Formula: C15H16ClN5 MolecularWeight: 301.77404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N5.ClH/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);1H/q+1;/p-1/b8-5+;