2-[7-(3,3-diethyl-1-hexyl-indol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-diethyl-1-hexyl-indole

Systemtic Name: 2-[7-(3,3-diethyl-1-hexyl-indol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-diethyl-1-hexyl-indole Openeye Name: 2-[7-(3,3-diethyl-1-hexyl-indolin-2-ylidene)hepta-1,3,5-trienyl]-3,3-diethyl-1-hexyl-indol-1-ium CAS Name: 2-[7-(3,3-diethyl-1-hexyl-2-indol-1-iumyl)hepta-2,4,6-trienylidene]-3,3-diethyl-1-hexylindole IUPAC Name: 2-[7-(3,3-diethyl-1-hexylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-diethyl-1-hexylindole Traditional Name: 2-[7-(3,3-diethyl-1-hexyl-indolin-2-ylidene)hepta-1,3,5-trienyl]-3,3-diethyl-1-hexyl-indol-1-ium Formula: C43H61N2+ MolecularWeight: 605.95784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(C1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4C3(CC)CC)CCCCCC)(CC)CC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(C1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4C3(CC)CC)CCCCCC)(CC)CC

InChI

InChI=1S/C43H61N2/c1-7-13-15-26-34-44-38-30-24-22-28-36(38)42(9-3,10-4)40(44)32-20-18-17-19-21-33-41-43(11-5,12-6)37-29-23-25-31-39(37)45(41)35-27-16-14-8-2/h17-25,28-33H,7-16,26-27,34-35H2,1-6H3/q+1