diIC18(7)(1+) (Q27123628)

SCHEMBL14597396 (English)

6 October 2016

chemical formula

C₆₃H₁₀₁N₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

SCHEMBL14597396 (English)

6 October 2016

isomeric SMILES

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

1 reference

SCHEMBL14597396 (English)

InChI=1S/C63H101N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46-54-64-58-50-44-42-48-56(58)62(3,4)60(64)52-40-36-35-37-41-53-61-63(5,6)57-49-43-45-51-59(57)65(61)55-47-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h35-37,40-45,48-53H,7-34,38-39,46-47,54-55H2,1-6H3/q+1

6 October 2016

Identifiers

InChI

1 reference

SCHEMBL14597396 (English)

SZNXJAAOEKPPMN-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

SCHEMBL14597396 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-[(1E,3E,5E,7E)-7-(3,3-Dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium (English)

6 October 2016

1 reference

SCHEMBL14597396 (English)

6 October 2016

ChEBI ID

52820

mapping relation type

1 reference

diIC18(7)(1+) (English)