N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]hexanamide

Systemtic Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]hexanamide Openeye Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]hexanamide CAS Name: N-[6-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-3-pyridin-1-iumyl]hexanamide IUPAC Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]hexanamide Traditional Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyridin-1-ium-3-yl]hexanamide Formula: C21H28F3N5O+2 MolecularWeight: 423.47513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCC(=O)NC1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O/c1-2-3-4-5-20(30)27-17-7-9-19(26-15-17)29-12-10-28(11-13-29)18-8-6-16(14-25-18)21(22,23)24/h6-9,14-15H,2-5,10-13H2,1H3,(H,27,30)/p+2