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(Q29053930)
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English
1,3-bis-(1-ethyl-[4]quinolyl)-trimethinium
cation
1-ethyl-4-[(1E,3E)-3-(1-ethylquinolin-4(1h)-ylidene)prop-1-en-1-yl]quinolinium
(4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline
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Statements
instance of
type of chemical entity
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subclass of
cation
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cryptocyanin(1+)
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mass
353.20122522009
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₅N₂⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41
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isomeric SMILES
CCN1C=C/C(=C\C=C\C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41
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Identifiers
InChI
InChI=1S/C25H25N2/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25/h5-19H,3-4H2,1-2H3/q+1
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InChIKey
TVRUNVZRBXNONE-UHFFFAOYSA-N
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PubChem CID
94299
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ChEBI ID
52786
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
Probes And Drugs ID
PD027685
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