[7-(diethylamino)-9-methyl-phenothiazin-3-ylidene]-dipropyl-azanium chloride

Systemtic Name: [7-(diethylamino)-9-methyl-phenothiazin-3-ylidene]-dipropyl-azanium chloride Openeye Name: [7-(diethylamino)-9-methyl-phenothiazin-3-ylidene]-dipropyl-ammonium chloride CAS Name: [7-(diethylamino)-9-methyl-3-phenothiazinylidene]-dipropylammonium chloride IUPAC Name: [7-(diethylamino)-9-methylphenothiazin-3-ylidene]-dipropylazanium chloride Traditional Name: [7-(diethylamino)-9-methyl-phenothiazin-3-ylidene]-dipropyl-ammonium chloride Formula: C23H32ClN3S MolecularWeight: 418.03828

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=C1C=CC2=NC3=C(C=C(C=C3C)N(CC)CC)SC2=C1)CCC.[Cl-]

Isomeric SMILES

CCC[N+](=C1C=CC2=NC3=C(C=C(C=C3C)N(CC)CC)SC2=C1)CCC.[Cl-]

InChI

InChI=1S/C23H32N3S.ClH/c1-6-12-26(13-7-2)18-10-11-20-21(15-18)27-22-16-19(25(8-3)9-4)14-17(5)23(22)24-20;/h10-11,14-16H,6-9,12-13H2,1-5H3;1H/q+1;/p-1