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[7-(diethylamino)phenothiazin-3-ylidene]-dipropyl-azanium iodide

[7-(diethylamino)phenothiazin-3-ylidene]-dipropyl-azanium iodide

Systemtic Name:[7-(diethylamino)phenothiazin-3-ylidene]-dipropyl-azanium iodide
Openeye Name:[7-(diethylamino)phenothiazin-3-ylidene]-dipropyl-ammonium iodide
CAS Name:[7-(diethylamino)-3-phenothiazinylidene]-dipropylammonium iodide
IUPAC Name:[7-(diethylamino)phenothiazin-3-ylidene]-dipropylazanium iodide
Traditional Name:[7-(diethylamino)phenothiazin-3-ylidene]-dipropyl-ammonium iodide
Formula: C22H30IN3S
MolecularWeight: 495.46317
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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CC)CC)SC2=C1)CCC.[I-]


Isomeric SMILES

CCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CC)CC)SC2=C1)CCC.[I-]


InChI

InChI=1S/C22H30N3S.HI/c1-5-13-25(14-6-2)18-10-12-20-22(16-18)26-21-15-17(24(7-3)8-4)9-11-19(21)23-20;/h9-12,15-16H,5-8,13-14H2,1-4H3;1H/q+1;/p-1


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