2-[(E,3Z)-3-(3,3-dimethyl-1-octadecyl-indol-2-ylidene)prop-1-enyl]-1-heptadecyl-3,3-dimethyl-indol-1-ium

Systemtic Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-octadecyl-indol-2-ylidene)prop-1-enyl]-1-heptadecyl-3,3-dimethyl-indol-1-ium Openeye Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-octadecyl-indolin-2-ylidene)prop-1-enyl]-1-heptadecyl-3,3-dimethyl-indol-1-ium CAS Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-octadecyl-2-indolylidene)prop-1-enyl]-1-heptadecyl-3,3-dimethylindol-1-ium IUPAC Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-octadecylindol-2-ylidene)prop-1-enyl]-1-heptadecyl-3,3-dimethylindol-1-ium Traditional Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-stearyl-indolin-2-ylidene)prop-1-enyl]-1-heptadecyl-3,3-dimethyl-indol-1-ium Formula: C58H95N2+ MolecularWeight: 820.3883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H95N2/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(5,6)56(60)48-42-47-55-57(3,4)51-43-36-38-45-53(51)59(55)49-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h36-39,42-48H,7-35,40-41,49-50H2,1-6H3/q+1