4-methoxy-N-[4-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]butyl]benzamide

Systemtic Name: 4-methoxy-N-[4-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]butyl]benzamide Openeye Name: 4-methoxy-N-[4-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]butyl]benzamide CAS Name: 4-methoxy-N-[4-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]butyl]benzamide IUPAC Name: 4-methoxy-N-[4-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]butyl]benzamide Traditional Name: 4-methoxy-N-[4-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]butyl]benzamide Formula: C22H29F3N4O2+2 MolecularWeight: 438.48647

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCCCC[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCCCC[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C22H27F3N4O2/c1-31-18-8-6-17(7-9-18)21(30)27-10-2-3-12-28-13-15-29(16-14-28)20-19(22(23,24)25)5-4-11-26-20/h4-9,11H,2-3,10,12-16H2,1H3,(H,27,30)/p+2