10-[3-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine dichloride

Systemtic Name: 10-[3-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine dichloride Openeye Name: 10-[3-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine dichloride CAS Name: 10-[3-[4-(2-chloroethyl)-1-piperazine-1,4-diiumyl]propyl]-2-(trifluoromethyl)phenothiazine dichloride IUPAC Name: 10-[3-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine dichloride Traditional Name: 10-[3-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine dichloride Formula: C22H27Cl3F3N3S MolecularWeight: 528.88909

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCCl.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCCl.[Cl-].[Cl-]

InChI

InChI=1S/C22H25ClF3N3S.2ClH/c23-8-11-28-14-12-27(13-15-28)9-3-10-29-18-4-1-2-5-20(18)30-21-7-6-17(16-19(21)29)22(24,25)26;;/h1-2,4-7,16H,3,8-15H2;2*1H