N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: N-[2-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide Formula: C18H21F3N5O+ MolecularWeight: 380.38745

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=CC=C2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=CC=C2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H20F3N5O/c19-18(20,21)15-6-7-23-17(24-15)26-12-10-25(11-13-26)9-8-22-16(27)14-4-2-1-3-5-14/h1-7H,8-13H2,(H,22,27)/p+1