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

Systemtic Name: 9-methyl-N-phenylmethoxy-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-amine Openeye Name: N-benzyloxy-9-methyl-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-amine CAS Name: 9-methyl-N-phenylmethoxy-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-purin-9-iumamine IUPAC Name: 9-methyl-N-phenylmethoxy-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-amine Traditional Name: benzoxy-[9-methyl-7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]purin-9-ium-6-yl]amine Formula: C28H38N5O+ MolecularWeight: 460.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCN1C=[N+](C2=C1C(=NC=N2)NOCC3=CC=CC=C3)C)C)C)C

Isomeric SMILES

CC(=CCC/C(=C\CC/C(=C/CN1C=[N+](C2=C1C(=NC=N2)NOCC3=CC=CC=C3)C)/C)/C)C

InChI

InChI=1S/C28H38N5O/c1-22(2)11-9-12-23(3)13-10-14-24(4)17-18-33-21-32(5)28-26(33)27(29-20-30-28)31-34-19-25-15-7-6-8-16-25/h6-8,11,13,15-17,20-21H,9-10,12,14,18-19H2,1-5H3,(H,29,30,31)/q+1/b23-13-,24-17+