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

Systemtic Name: 4-fluoranyl-N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(2-phenylethanoyl)azepan-1-ium-4-yl]amino]pentan-2-yl]benzamide Openeye Name: 4-fluoro-N-[3-methyl-1-[[3-oxo-1-(2-phenylacetyl)azepan-1-ium-4-yl]carbamoyl]butyl]benzamide CAS Name: 4-fluoro-N-[4-methyl-1-oxo-1-[[3-oxo-1-(1-oxo-2-phenylethyl)-4-azepan-1-iumyl]amino]pentan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[4-methyl-1-oxo-1-[[3-oxo-1-(2-phenylacetyl)azepan-1-ium-4-yl]amino]pentan-2-yl]benzamide Traditional Name: 4-fluoro-N-[1-[[3-keto-1-(2-phenylacetyl)azepan-1-ium-4-yl]carbamoyl]-3-methyl-butyl]benzamide Formula: C27H33FN3O4+ MolecularWeight: 482.567023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCC[NH+](CC1=O)C(=O)CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(C(=O)NC1CCC[NH+](CC1=O)C(=O)CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H32FN3O4/c1-18(2)15-23(30-26(34)20-10-12-21(28)13-11-20)27(35)29-22-9-6-14-31(17-24(22)32)25(33)16-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-23H,6,9,14-17H2,1-2H3,(H,29,35)(H,30,34)/p+1