[4-(6-bromanylnaphthalen-2-yl)sulfanyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]-[2-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(6-bromanylnaphthalen-2-yl)sulfanyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]-[2-(trifluoromethyl)phenyl]methanone Openeye Name: [4-[(6-bromo-2-naphthyl)sulfanyl]-4-(4-pyridyl)piperazin-4-ium-1-yl]-[2-(trifluoromethyl)phenyl]methanone CAS Name: [4-[(6-bromo-2-naphthalenyl)thio]-4-pyridin-4-yl-1-piperazin-4-iumyl]-[2-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(6-bromonaphthalen-2-yl)sulfanyl-4-pyridin-4-ylpiperazin-4-ium-1-yl]-[2-(trifluoromethyl)phenyl]methanone Traditional Name: [4-[(6-bromo-2-naphthyl)thio]-4-(4-pyridyl)piperazin-4-ium-1-yl]-[2-(trifluoromethyl)phenyl]methanone Formula: C27H22BrF3N3OS+ MolecularWeight: 573.44729

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(=O)C2=CC=CC=C2C(F)(F)F)(C3=CC=NC=C3)SC4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

C1C[N+](CCN1C(=O)C2=CC=CC=C2C(F)(F)F)(C3=CC=NC=C3)SC4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C27H22BrF3N3OS/c28-21-7-5-20-18-23(8-6-19(20)17-21)36-34(22-9-11-32-12-10-22)15-13-33(14-16-34)26(35)24-3-1-2-4-25(24)27(29,30)31/h1-12,17-18H,13-16H2/q+1