N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-oxidanidylmorpholin-4-ium-4-yl)pyridine-3-carboxamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-oxidanidylmorpholin-4-ium-4-yl)pyridine-3-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(o-tolyl)-6-(4-oxidomorpholin-4-ium-4-yl)pyridine-3-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-oxido-4-morpholin-4-iumyl)-3-pyridinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-oxidomorpholin-4-ium-4-yl)pyridine-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-N-methyl-4-(o-tolyl)-6-(4-oxidomorpholin-4-ium-4-yl)nicotinamide Formula: C27H25F6N3O3 MolecularWeight: 553.496119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=NC=C2C(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+]4(CCOCC4)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=NC=C2C(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+]4(CCOCC4)[O-]

InChI

InChI=1S/C27H25F6N3O3/c1-17-5-3-4-6-21(17)22-14-24(36(38)7-9-39-10-8-36)34-15-23(22)25(37)35(2)16-18-11-19(26(28,29)30)13-20(12-18)27(31,32)33/h3-6,11-15H,7-10,16H2,1-2H3