9-methyl-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-amine

Systemtic Name: 9-methyl-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-amine Openeye Name: 9-methyl-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-amine CAS Name: 9-methyl-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-purin-9-iumamine IUPAC Name: 9-methyl-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-amine Traditional Name: [9-methyl-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-yl]amine Formula: C21H32N5+ MolecularWeight: 354.51228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N5/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-26-15-25(5)21-19(26)20(22)23-14-24-21/h8,10,12,14-15H,6-7,9,11,13H2,1-5H3,(H2,22,23,24)/q+1/b17-10-,18-12+