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

Systemtic Name: (2Z)-2-[(E)-3-(3,3-dimethyl-1-octyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octyl-indole iodide Openeye Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-octyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-1-octyl-indol-1-ium iodide CAS Name: (2Z)-2-[(E)-3-(3,3-dimethyl-1-octyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethyl-1-octylindole iodide IUPAC Name: (2Z)-2-[(E)-3-(3,3-dimethyl-1-octylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octylindole iodide Traditional Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-octyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-1-octyl-indol-1-ium iodide Formula: C39H57IN2 MolecularWeight: 680.78775

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCC)(C)C.[I-]

Isomeric SMILES

CCCCCCCCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCC)(C)C.[I-]

InChI

InChI=1S/C39H57N2.HI/c1-7-9-11-13-15-21-30-40-34-26-19-17-24-32(34)38(3,4)36(40)28-23-29-37-39(5,6)33-25-18-20-27-35(33)41(37)31-22-16-14-12-10-8-2;/h17-20,23-29H,7-16,21-22,30-31H2,1-6H3;1H/q+1;/p-1