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

Systemtic Name: 1-oxidanidyl-3-[1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propyl]benzimidazol-1-ium Openeye Name: 1-oxido-3-[1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propyl]benzimidazol-1-ium CAS Name: 1-oxido-3-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propyl]benzimidazol-1-ium IUPAC Name: 1-oxido-3-[1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propyl]benzimidazol-1-ium Traditional Name: 1-oxido-3-[1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propyl]benzimidazol-1-ium Formula: C20H22F3N5O MolecularWeight: 405.41679

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)N3C=[N+](C4=CC=CC=C43)[O-]

Isomeric SMILES

CCC(N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)N3C=[N+](C4=CC=CC=C43)[O-]

InChI

InChI=1S/C20H22F3N5O/c1-2-19(27-14-28(29)17-6-4-3-5-16(17)27)26-11-9-25(10-12-26)18-8-7-15(13-24-18)20(21,22)23/h3-8,13-14,19H,2,9-12H2,1H3