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

Systemtic Name: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 3-methoxy-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide Formula: C19H23F3N5O2+ MolecularWeight: 410.41343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C19H22F3N5O2/c1-29-15-4-2-3-14(13-15)17(28)23-7-8-26-9-11-27(12-10-26)18-24-6-5-16(25-18)19(20,21)22/h2-6,13H,7-12H2,1H3,(H,23,28)/p+1