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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C4CCCCC4

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C4CCCCC4

InChI

InChI=1S/C28H37FN4O3/c1-2-3-12-30-27(35)24-19-33(23-10-5-4-6-11-23)20-25(26(24)34)28(36)32-15-13-31(14-16-32)18-21-8-7-9-22(29)17-21/h7-9,17,19-20,23H,2-6,10-16,18H2,1H3,(H,30,35)/p+1