10-[3-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

Systemtic Name: 10-[3-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine Openeye Name: 10-[3-(4-methyl-4-oxido-piperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine CAS Name: 10-[3-(4-methyl-4-oxido-1-piperazin-4-iumyl)propyl]-2-(trifluoromethyl)phenothiazine IUPAC Name: 10-[3-(4-methyl-4-oxidopiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine Traditional Name: 10-[3-(4-methyl-4-oxido-piperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine Formula: C21H24F3N3OS MolecularWeight: 423.49497

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24F3N3OS/c1-27(28)13-11-25(12-14-27)9-4-10-26-17-5-2-3-6-19(17)29-20-8-7-16(15-18(20)26)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3