5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

Systemtic Name: 5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole Openeye Name: 5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]oxazole CAS Name: 5-methyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-[3-(trifluoromethyl)phenyl]oxazole IUPAC Name: 5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole Traditional Name: 5-methyl-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-2-[3-(trifluoromethyl)phenyl]oxazole Formula: C21H22F3N4O+ MolecularWeight: 403.42079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H21F3N4O/c1-15-18(14-27-9-11-28(12-10-27)19-7-2-3-8-25-19)26-20(29-15)16-5-4-6-17(13-16)21(22,23)24/h2-8,13H,9-12,14H2,1H3/p+1