(5-nitrothiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (5-nitrothiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (5-nitro-2-thienyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (5-nitro-2-thiophenyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (5-nitrothiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (5-nitro-2-thienyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C15H14F3N4O3S+ MolecularWeight: 387.35687

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H13F3N4O3S/c16-15(17,18)10-1-3-12(19-9-10)20-5-7-21(8-6-20)14(23)11-2-4-13(26-11)22(24)25/h1-4,9H,5-8H2/p+1