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

Systemtic Name: 7-[(2E,6E)-9-(2,2-dimethyl-6-methylidene-cyclohexyl)-3,7-dimethyl-nona-2,6-dienyl]-9-methyl-purin-9-ium-6-amine Openeye Name: 7-[(2E,6E)-9-(2,2-dimethyl-6-methylene-cyclohexyl)-3,7-dimethyl-nona-2,6-dienyl]-9-methyl-purin-9-ium-6-amine CAS Name: 7-[(2E,6E)-9-(2,2-dimethyl-6-methylenecyclohexyl)-3,7-dimethylnona-2,6-dienyl]-9-methyl-6-purin-9-iumamine IUPAC Name: 7-[(2E,6E)-9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dienyl]-9-methylpurin-9-ium-6-amine Traditional Name: [7-[(2E,6E)-9-(2,2-dimethyl-6-methylene-cyclohexyl)-3,7-dimethyl-nona-2,6-dienyl]-9-methyl-purin-9-ium-6-yl]amine Formula: C26H40N5+ MolecularWeight: 422.6293

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCN1C=[N+](C2=C1C(=NC=N2)N)C)C)CCC3C(=C)CCCC3(C)C

Isomeric SMILES

C/C(=C\CC/C(=C/CN1C=[N+](C2=C1C(=NC=N2)N)C)/C)/CCC3C(=C)CCCC3(C)C

InChI

InChI=1S/C26H40N5/c1-19(12-13-22-21(3)11-8-15-26(22,4)5)9-7-10-20(2)14-16-31-18-30(6)25-23(31)24(27)28-17-29-25/h9,14,17-18,22H,3,7-8,10-13,15-16H2,1-2,4-6H3,(H2,27,28,29)/q+1/b19-9+,20-14+