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

Systemtic Name: dibutyl-[7-(diethylamino)-9-methyl-phenothiazin-3-ylidene]azanium chloride Openeye Name: dibutyl-[7-(diethylamino)-9-methyl-phenothiazin-3-ylidene]ammonium chloride CAS Name: dibutyl-[7-(diethylamino)-9-methyl-3-phenothiazinylidene]ammonium chloride IUPAC Name: dibutyl-[7-(diethylamino)-9-methylphenothiazin-3-ylidene]azanium chloride Traditional Name: dibutyl-[7-(diethylamino)-9-methyl-phenothiazin-3-ylidene]ammonium chloride Formula: C25H36ClN3S MolecularWeight: 446.09144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N3S.ClH/c1-6-10-14-28(15-11-7-2)20-12-13-22-23(17-20)29-24-18-21(27(8-3)9-4)16-19(5)25(24)26-22;/h12-13,16-18H,6-11,14-15H2,1-5H3;1H/q+1;/p-1