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

Systemtic Name: (2Z)-2-[(Z)-3-(3,3-dimethyl-1-octadecyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecyl-indole Openeye Name: 2-[(Z,3Z)-3-(3,3-dimethyl-1-octadecyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-1-octadecyl-indol-1-ium CAS Name: (2Z)-2-[(Z)-3-(3,3-dimethyl-1-octadecyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole IUPAC Name: (2Z)-2-[(Z)-3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole Traditional Name: 2-[(Z,3Z)-3-(3,3-dimethyl-1-stearyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-1-stearyl-indol-1-ium Formula: C59H97N2+ MolecularWeight: 834.41488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C59H97N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3/q+1