3-[[p-(Dimethylamino)benzylidene]amino]-1-[p-(dimethylamino)phenacyl]-2-(p-methoxyphenyl)imidazolium bromide

HCID 70360960
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Basic information

Standard SMILES
COc1ccc(-c2n(N=Cc3ccc(N(C)C)cc3)cc[n+]2CC(=O)c2ccc(N(C)C)cc2)cc1.[Br-]
InChIKey
FKUISQYNJQDKGS-UHFFFAOYSA-M
Molecular formula
C29H32BrN5O2
Average molar mass
562.5 g/mol

Names & identifiers

Preferred name
3-[[p-(Dimethylamino)benzylidene]amino]-1-[p-(dimethylamino)phenacyl]-2-(p-methoxyphenyl)imidazolium bromide
IUPAC
1-[4-(dimethylamino)phenyl]-2-[3-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)imidazol-1-ium-1-yl]ethanone bromide

Names & synonyms

SCHEMBL10410938SCHEMBL10410940SCHEMBL10410941FKUISQYNJQDKGS-UHFFFAOYSA-M3-[[p-(dimethylamino)benzylidene]amino]-1-[p-(dimethylamino)phenacyl]-2-(p-methoxyphenyl)imidazolium bromide

Database identifiers

PubChem CID
70360960

Properties

Computed structural properties

Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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