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

Systemtic Name: N-tert-butyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-tert-butyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1-isopentyl-4-oxo-pyridine-3-carboxamide CAS Name: N-tert-butyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-(3-methylbutyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide Traditional Name: N-tert-butyl-5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-1-isoamyl-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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H37FN4O3/c1-19(2)9-10-31-17-22(25(34)29-27(3,4)5)24(33)23(18-31)26(35)32-13-11-30(12-14-32)16-20-7-6-8-21(28)15-20/h6-8,15,17-19H,9-14,16H2,1-5H3,(H,29,34)/p+1