2-[(3-fluorophenyl)methyl]-6-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)methyl]-6-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 2-[(3-fluorophenyl)methyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-pyridine-3-carboxamide CAS Name: 2-[(3-fluorophenyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-6-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 2-(3-fluorobenzyl)-N-(2-hydroxy-1,1-dimethyl-ethyl)-4-keto-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)nicotinamide Formula: C25H35FN3O4+ MolecularWeight: 460.561503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCC[NH+]2CCOCC2)CC3=CC(=CC=C3)F)C(=O)NC(C)(C)CO

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCC[NH+]2CCOCC2)CC3=CC(=CC=C3)F)C(=O)NC(C)(C)CO

InChI

InChI=1S/C25H34FN3O4/c1-18-14-22(31)23(24(32)27-25(2,3)17-30)21(16-19-6-4-7-20(26)15-19)29(18)9-5-8-28-10-12-33-13-11-28/h4,6-7,14-15,30H,5,8-13,16-17H2,1-3H3,(H,27,32)/p+1