N-(4-butyl-2-methyl-phenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-butyl-2-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-butyl-2-methylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30F3N4O+ MolecularWeight: 435.50571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C23H29F3N4O/c1-3-4-5-18-6-8-20(17(2)14-18)28-22(31)16-29-10-12-30(13-11-29)21-9-7-19(15-27-21)23(24,25)26/h6-9,14-15H,3-5,10-13,16H2,1-2H3,(H,28,31)/p+1