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

Systemtic Name: 1-(cyclohexylmethyl)-N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-(cyclohexylmethyl)-N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-(cyclohexylmethyl)-N-ethyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-(cyclohexylmethyl)-N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: 1-(cyclohexylmethyl)-N-ethyl-5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-4-keto-nicotinamide Formula: C27H36FN4O3+ MolecularWeight: 483.598143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)CC4CCCCC4

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)CC4CCCCC4

InChI

InChI=1S/C27H35FN4O3/c1-2-29-26(34)23-18-31(16-20-7-4-3-5-8-20)19-24(25(23)33)27(35)32-13-11-30(12-14-32)17-21-9-6-10-22(28)15-21/h6,9-10,15,18-20H,2-5,7-8,11-14,16-17H2,1H3,(H,29,34)/p+1