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

Systemtic Name: N-methoxy-9-methyl-7-[(E)-3-phenylprop-2-enyl]purin-9-ium-6-amine chloride Openeye Name: 7-[(E)-cinnamyl]-N-methoxy-9-methyl-purin-9-ium-6-amine chloride CAS Name: N-methoxy-9-methyl-7-[(E)-3-phenylprop-2-enyl]-6-purin-9-iumamine chloride IUPAC Name: N-methoxy-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]-methoxy-amine chloride Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1N=CN=C2NOC)CC=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[N+]1=CN(C2=C1N=CN=C2NOC)C/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H18N5O.ClH/c1-20-12-21(10-6-9-13-7-4-3-5-8-13)14-15(19-22-2)17-11-18-16(14)20;/h3-9,11-12H,10H2,1-2H3,(H,17,18,19);1H/q+1;/p-1/b9-6+;