(2E)-1-hexadecyl-2-[(E)-3-(1-hexadecyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole

Systemtic Name: (2E)-1-hexadecyl-2-[(E)-3-(1-hexadecyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole Openeye Name: 1-hexadecyl-2-[(E,3E)-3-(1-hexadecyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium CAS Name: (2E)-1-hexadecyl-2-[(E)-3-(1-hexadecyl-3,3-dimethyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethylindole IUPAC Name: (2E)-1-hexadecyl-2-[(E)-3-(1-hexadecyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole Traditional Name: 1-cetyl-2-[(E,3E)-3-(1-cetyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium Formula: C55H89N2+ MolecularWeight: 778.30856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCC)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCC)(C)C

InChI

InChI=1S/C55H89N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-56-50-42-35-33-40-48(50)54(3,4)52(56)44-39-45-53-55(5,6)49-41-34-36-43-51(49)57(53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h33-36,39-45H,7-32,37-38,46-47H2,1-6H3/q+1