1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-isopentyl-4-oxo-pyridine-3-carboxamide CAS Name: 1-cyclopentyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(3-methylbutyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide Traditional Name: 1-cyclopentyl-5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-N-isoamyl-4-keto-nicotinamide Formula: C28H38FN4O3+ MolecularWeight: 497.624723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C4CCCC4

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C4CCCC4

InChI

InChI=1S/C28H37FN4O3/c1-20(2)10-11-30-27(35)24-18-33(23-8-3-4-9-23)19-25(26(24)34)28(36)32-14-12-31(13-15-32)17-21-6-5-7-22(29)16-21/h5-7,16,18-20,23H,3-4,8-15,17H2,1-2H3,(H,30,35)/p+1