4-fluoranyl-N-[4-methyl-1-oxidanylidene-1-[[3-oxidanyl-1-(phenylcarbonyl)azepan-1-ium-4-yl]amino]pentan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[4-methyl-1-oxidanylidene-1-[[3-oxidanyl-1-(phenylcarbonyl)azepan-1-ium-4-yl]amino]pentan-2-yl]benzamide Openeye Name: N-[1-[(1-benzoyl-3-hydroxy-azepan-1-ium-4-yl)carbamoyl]-3-methyl-butyl]-4-fluoro-benzamide CAS Name: N-[1-[(1-benzoyl-3-hydroxy-4-azepan-1-iumyl)amino]-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide IUPAC Name: N-[1-[(1-benzoyl-3-hydroxyazepan-1-ium-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide Traditional Name: N-[1-[(1-benzoyl-3-hydroxy-azepan-1-ium-4-yl)carbamoyl]-3-methyl-butyl]-4-fluoro-benzamide Formula: C26H33FN3O4+ MolecularWeight: 470.556323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCC[NH+](CC1O)C(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(C(=O)NC1CCC[NH+](CC1O)C(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H32FN3O4/c1-17(2)15-22(29-24(32)18-10-12-20(27)13-11-18)25(33)28-21-9-6-14-30(16-23(21)31)26(34)19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H,28,33)(H,29,32)/p+1