10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine chloride

Systemtic Name: 10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine chloride Openeye Name: 10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine chloride CAS Name: 10-[3-(4-methyl-1-piperazin-1-iumyl)propyl]-2-(trifluoromethyl)phenothiazine chloride IUPAC Name: 10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine chloride Traditional Name: 10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine chloride Formula: C21H25ClF3N3S MolecularWeight: 443.95651

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.[Cl-]

Isomeric SMILES

CN1CC[NH+](CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.[Cl-]

InChI

InChI=1S/C21H24F3N3S.ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;/h2-3,5-8,15H,4,9-14H2,1H3;1H