4-methyl-N-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide

Systemtic Name: 4-methyl-N-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide Openeye Name: 4-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)-1-piperidyl]methyl]-3-(trifluoromethyl)benzamide CAS Name: 4-methyl-N-[[4-(1-oxido-2-pyridin-1-iumyl)-1-piperidinyl]methyl]-3-(trifluoromethyl)benzamide IUPAC Name: 4-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide Traditional Name: 4-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidino]methyl]-3-(trifluoromethyl)benzamide Formula: C20H22F3N3O2 MolecularWeight: 393.40279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCN2CCC(CC2)C3=CC=CC=[N+]3[O-])C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCN2CCC(CC2)C3=CC=CC=[N+]3[O-])C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2/c1-14-5-6-16(12-17(14)20(21,22)23)19(27)24-13-25-10-7-15(8-11-25)18-4-2-3-9-26(18)28/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,24,27)