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

Systemtic Name: N-pentan-3-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-ethylpropyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-pentan-3-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-ethylpropyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26F3N4O+ MolecularWeight: 359.40975

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H25F3N4O/c1-3-14(4-2)22-16(25)12-23-7-9-24(10-8-23)15-6-5-13(11-21-15)17(18,19)20/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,22,25)/p+1