10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

Systemtic Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine Openeye Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine CAS Name: 10-[3-(4,4-dimethyl-1-piperazin-4-iumyl)propyl]-2-(trifluoromethyl)phenothiazine IUPAC Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine Traditional Name: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine Formula: C22H27F3N3S+ MolecularWeight: 422.53009

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C

Isomeric SMILES

C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C

InChI

InChI=1S/C22H27F3N3S/c1-28(2)14-12-26(13-15-28)10-5-11-27-18-6-3-4-7-20(18)29-21-9-8-17(16-19(21)27)22(23,24)25/h3-4,6-9,16H,5,10-15H2,1-2H3/q+1