9-methyl-7-prop-2-enyl-purin-9-ium-6-amine chloride

Systemtic Name: 9-methyl-7-prop-2-enyl-purin-9-ium-6-amine chloride Openeye Name: 7-allyl-9-methyl-purin-9-ium-6-amine chloride CAS Name: 9-methyl-7-prop-2-enyl-6-purin-9-iumamine chloride IUPAC Name: 9-methyl-7-prop-2-enylpurin-9-ium-6-amine chloride Traditional Name: (7-allyl-9-methyl-purin-9-ium-6-yl)amine chloride Formula: C9H12ClN5 MolecularWeight: 225.67808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N5.ClH/c1-3-4-14-6-13(2)9-7(14)8(10)11-5-12-9;/h3,5-6H,1,4H2,2H3,(H2,10,11,12);1H/q+1;/p-1