5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(2-methylpropyl)-4-oxidanylidene-1-propan-2-yl-pyridine-3-carboxamide

Systemtic Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(2-methylpropyl)-4-oxidanylidene-1-propan-2-yl-pyridine-3-carboxamide Openeye Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-isobutyl-1-isopropyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide Traditional Name: 5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-N-isobutyl-1-isopropyl-4-keto-nicotinamide Formula: C25H34FN4O3+ MolecularWeight: 457.560863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C(C)C

InChI

InChI=1S/C25H33FN4O3/c1-17(2)13-27-24(32)21-15-30(18(3)4)16-22(23(21)31)25(33)29-10-8-28(9-11-29)14-19-6-5-7-20(26)12-19/h5-7,12,15-18H,8-11,13-14H2,1-4H3,(H,27,32)/p+1