3-(4-methylpiperazine-1,4-diium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one

Systemtic Name: 3-(4-methylpiperazine-1,4-diium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one Openeye Name: 3-(4-methylpiperazine-1,4-diium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one CAS Name: 3-(4-methyl-1-piperazine-1,4-diiumyl)-1-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanone IUPAC Name: 3-(4-methylpiperazine-1,4-diium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one Traditional Name: 3-(4-methylpiperazine-1,4-diium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one Formula: C21H24F3N3OS+2 MolecularWeight: 423.49497

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N3OS/c1-25-10-12-26(13-11-25)9-8-20(28)27-16-4-2-3-5-18(16)29-19-7-6-15(14-17(19)27)21(22,23)24/h2-7,14H,8-13H2,1H3/p+2