3-(Dibutylamino)-7-(dipropylamino)phenothiazin-5-ium iodide

HCID 178449028
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Basic information

Standard SMILES
CCCCN(CCCC)c1ccc2nc3ccc(N(CCC)CCC)cc3[s+]c2c1.[I-]
InChIKey
DGGLJXDKTHLHAY-UHFFFAOYSA-M
Molecular formula
C26H38IN3S
Average molar mass
551.6 g/mol
Monoisotopic mass
551.18312

Names & identifiers

Preferred name
3-(Dibutylamino)-7-(dipropylamino)phenothiazin-5-ium iodide
IUPAC
[7-(dibutylamino)phenothiazin-3-ylidene]-dipropylazanium iodide

Names & synonyms

SCHEMBL1470298DGGLJXDKTHLHAY-UHFFFAOYSA-M3-(Dibutylamino)-7-(dipropylamino)phenothiazin-5-ium iodide3-(N,N-dibutylamino)-7-(N,N-dipropylamino)-pbenothiazin-5-ium iodide3-(N,N-dibutylamino)-7-(N,N-dipropylamino)-phenothiazin-5-ium iodide813463-03-5

Database identifiers

PubChem CID
11226640

Properties

Computed structural properties

Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
31

Related reactions

5 records
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Linked notes

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