1-[(2Z)-2-[(E)-3-(3,3-dimethyl-1-octadecanoyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indol-1-yl]octadecan-1-one

Systemtic Name: 1-[(2Z)-2-[(E)-3-(3,3-dimethyl-1-octadecanoyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indol-1-yl]octadecan-1-one Openeye Name: 1-[(2Z)-2-[(E)-3-(3,3-dimethyl-1-octadecanoyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indolin-1-yl]octadecan-1-one CAS Name: 1-[(2Z)-2-[(E)-3-[3,3-dimethyl-1-(1-oxooctadecyl)-2-indol-1-iumyl]prop-2-enylidene]-3,3-dimethyl-1-indolyl]-1-octadecanone IUPAC Name: 1-[(2Z)-2-[(E)-3-(3,3-dimethyl-1-octadecanoylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindol-1-yl]octadecan-1-one Traditional Name: 1-[(2Z)-2-[(E)-3-(3,3-dimethyl-1-stearoyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indolin-1-yl]octadecan-1-one Formula: C59H93N2O2+ MolecularWeight: 862.38192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)C(=O)CCCCCCCCCCCCCCCCC)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C59H93N2O2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-56(62)60-52-44-39-37-42-50(52)58(3,4)54(60)46-41-47-55-59(5,6)51-43-38-40-45-53(51)61(55)57(63)49-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-47H,7-36,48-49H2,1-6H3/q+1