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

Systemtic Name: (2E)-1-icosyl-2-[(E)-3-(1-icosyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole Openeye Name: 1-icosyl-2-[(E,3E)-3-(1-icosyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium CAS Name: (2E)-1-eicosyl-2-[(E)-3-(1-eicosyl-3,3-dimethyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethylindole IUPAC Name: (2E)-1-icosyl-2-[(E)-3-(1-icosyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole Traditional Name: 1-arachyl-2-[(E,3E)-3-(1-arachyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium Formula: C63H105N2+ MolecularWeight: 890.5212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCCCC)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C63H105N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-54-64-58-50-43-41-48-56(58)62(3,4)60(64)52-47-53-61-63(5,6)57-49-42-44-51-59(57)65(61)55-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-44,47-53H,7-40,45-46,54-55H2,1-6H3/q+1