1-ethyl-3-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzimidazol-2-one

Systemtic Name: 1-ethyl-3-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzimidazol-2-one Openeye Name: 1-ethyl-3-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzimidazol-2-one CAS Name: 1-ethyl-3-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]propyl]-2-benzimidazolone IUPAC Name: 1-ethyl-3-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzimidazol-2-one Traditional Name: 1-ethyl-3-[3-keto-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propyl]benzimidazol-2-one Formula: C22H25F3N5O2+ MolecularWeight: 448.46141

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H24F3N5O2/c1-2-29-17-5-3-4-6-18(17)30(21(29)32)10-9-20(31)28-13-11-27(12-14-28)19-8-7-16(15-26-19)22(23,24)25/h3-8,15H,2,9-14H2,1H3/p+1