7-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienyl]-9-methyl-purin-9-ium-6-amine chloride

Systemtic Name: 7-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienyl]-9-methyl-purin-9-ium-6-amine chloride Openeye Name: 7-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienyl]-9-methyl-purin-9-ium-6-amine chloride CAS Name: 7-[(2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dienyl]-9-methyl-6-purin-9-iumamine chloride IUPAC Name: 7-[(2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dienyl]-9-methylpurin-9-ium-6-amine chloride Traditional Name: [7-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienyl]-9-methyl-purin-9-ium-6-yl]amine chloride Formula: C23H36ClN5 MolecularWeight: 418.01844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCN1C=[N+](C2=C1C(=NC=N2)N)C)C)CCC3CCCCC3.[Cl-]

Isomeric SMILES

C/C(=C\CC/C(=C/CN1C=[N+](C2=C1C(=NC=N2)N)C)/C)/CCC3CCCCC3.[Cl-]

InChI

InChI=1S/C23H36N5.ClH/c1-18(12-13-20-10-5-4-6-11-20)8-7-9-19(2)14-15-28-17-27(3)23-21(28)22(24)25-16-26-23;/h8,14,16-17,20H,4-7,9-13,15H2,1-3H3,(H2,24,25,26);1H/q+1;/p-1/b18-8+,19-14+;