7-[(2E,6E,10E,14E)-icosa-2,6,10,14-tetraenyl]-9-methyl-purin-9-ium-6-amine

Systemtic Name: 7-[(2E,6E,10E,14E)-icosa-2,6,10,14-tetraenyl]-9-methyl-purin-9-ium-6-amine Openeye Name: 7-[(2E,6E,10E,14E)-icosa-2,6,10,14-tetraenyl]-9-methyl-purin-9-ium-6-amine CAS Name: 7-[(2E,6E,10E,14E)-eicosa-2,6,10,14-tetraenyl]-9-methyl-6-purin-9-iumamine IUPAC Name: 7-[(2E,6E,10E,14E)-icosa-2,6,10,14-tetraenyl]-9-methylpurin-9-ium-6-amine Traditional Name: [7-[(2E,6E,10E,14E)-eicosa-2,6,10,14-tetraenyl]-9-methyl-purin-9-ium-6-yl]amine Formula: C26H40N5+ MolecularWeight: 422.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCCC=CCCC=CCCC=CCN1C=[N+](C2=C1C(=NC=N2)N)C

Isomeric SMILES

CCCCC/C=C/CC/C=C/CC/C=C/CC/C=C/CN1C=[N+](C2=C1C(=NC=N2)N)C

InChI

InChI=1S/C26H40N5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-23-30(2)26-24(31)25(27)28-22-29-26/h7-8,11-12,15-16,19-20,22-23H,3-6,9-10,13-14,17-18,21H2,1-2H3,(H2,27,28,29)/q+1/b8-7+,12-11+,16-15+,20-19+