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

Systemtic Name: 1-propyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzimidazol-2-one Openeye Name: 1-propyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzimidazol-2-one CAS Name: 1-propyl-3-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-2-benzimidazolone IUPAC Name: 1-propyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzimidazol-2-one Traditional Name: 1-propyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzimidazol-2-one Formula: C21H26F3N5O+2 MolecularWeight: 421.45925

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H24F3N5O/c1-2-9-28-17-5-3-4-6-18(17)29(20(28)30)15-26-10-12-27(13-11-26)19-8-7-16(14-25-19)21(22,23)24/h3-8,14H,2,9-13,15H2,1H3/p+2