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

Systemtic Name: N-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C19H22F3N4O2+ MolecularWeight: 395.39879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N4O2/c1-28-16-4-2-3-15(11-16)24-18(27)13-25-7-9-26(10-8-25)17-6-5-14(12-23-17)19(20,21)22/h2-6,11-12H,7-10,13H2,1H3,(H,24,27)/p+1