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

Systemtic Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-4-oxidanylidene-1-phenethyl-pyridine-3-carboxamide Openeye Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-4-oxo-1-phenethyl-pyridine-3-carboxamide CAS Name: 5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-methyl-4-oxo-1-phenethyl-3-pyridinecarboxamide IUPAC Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-4-oxo-1-phenethylpyridine-3-carboxamide Traditional Name: 5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-4-keto-N-methyl-1-phenethyl-nicotinamide Formula: C27H30FN4O3+ MolecularWeight: 477.550503

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29FN4O3/c1-29-26(34)23-18-31(11-10-20-6-3-2-4-7-20)19-24(25(23)33)27(35)32-14-12-30(13-15-32)17-21-8-5-9-22(28)16-21/h2-9,16,18-19H,10-15,17H2,1H3,(H,29,34)/p+1