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

Systemtic Name: N-cyclohexyl-1-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-cyclohexyl-1-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: N-cyclohexyl-1-cyclopropyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: N-cyclohexyl-1-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: N-cyclohexyl-1-cyclopropyl-5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-4-keto-nicotinamide Formula: C27H34FN4O3+ MolecularWeight: 481.582263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)F)C5CC5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)F)C5CC5

InChI

InChI=1S/C27H33FN4O3/c28-20-6-4-5-19(15-20)16-30-11-13-31(14-12-30)27(35)24-18-32(22-9-10-22)17-23(25(24)33)26(34)29-21-7-2-1-3-8-21/h4-6,15,17-18,21-22H,1-3,7-14,16H2,(H,29,34)/p+1