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

Systemtic Name: 1-cyclopentyl-N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-cyclopentyl-N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-cyclopentyl-N-ethyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-cyclopentyl-N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: 1-cyclopentyl-N-ethyl-5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-4-keto-nicotinamide Formula: C25H32FN4O3+ MolecularWeight: 455.544983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN4O3/c1-2-27-24(32)21-16-30(20-8-3-4-9-20)17-22(23(21)31)25(33)29-12-10-28(11-13-29)15-18-6-5-7-19(26)14-18/h5-7,14,16-17,20H,2-4,8-13,15H2,1H3,(H,27,32)/p+1