(Q27123624)

Pyridinium, 4-[2-[4-(dihexadecylamino)phenyl]ethenyl]-1-methyl- (English)

6 October 2016

chemical formula

C₄₆H₇₉N₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C

1 reference

Pyridinium, 4-[2-[4-(dihexadecylamino)phenyl]ethenyl]-1-methyl- (English)

6 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C

1 reference

4-{(E)-2-[4-(Dihexadecylamino)phenyl]vinyl}-1-methylpyridinium (English)

InChI=1S/C46H79N2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45/h32-39,42-43H,4-31,40-41H2,1-3H3/q+1

6 October 2016

Identifiers

InChI

1 reference

Pyridinium, 4-[2-[4-(dihexadecylamino)phenyl]ethenyl]-1-methyl- (English)

6 October 2016

2 references

Pyridinium, 4-[2-[4-(dihexadecylamino)phenyl]ethenyl]-1-methyl- (English)

6 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

4-{(E)-2-[4-(Dihexadecylamino)phenyl]vinyl}-1-methylpyridinium (English)

6 October 2016

2 references

Pyridinium, 4-[2-[4-(dihexadecylamino)phenyl]ethenyl]-1-methyl- (English)

6 October 2016

5794484

1 reference

ChEBI ID

52816

mapping relation type

2 references

4-(4-dihexadecylaminostyryl)-N-methylpyridium (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C46H79N2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45/h32-39,42-43H,4-31,40-41H2,1-3H3/q+1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard