5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-isobutyl-1-isopentyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-1-isoamyl-N-isobutyl-4-keto-nicotinamide Formula: C27H38FN4O3+ MolecularWeight: 485.614023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C(=O)NCC(C)C

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C(=O)NCC(C)C

InChI

InChI=1S/C27H37FN4O3/c1-19(2)8-9-31-17-23(26(34)29-15-20(3)4)25(33)24(18-31)27(35)32-12-10-30(11-13-32)16-21-6-5-7-22(28)14-21/h5-7,14,17-20H,8-13,15-16H2,1-4H3,(H,29,34)/p+1