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

Systemtic Name: N-(phenylmethyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C19H22F3N4O+ MolecularWeight: 379.39939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O/c20-19(21,22)16-6-7-17(23-13-16)26-10-8-25(9-11-26)14-18(27)24-12-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2,(H,24,27)/p+1