3,5-bis(fluoranyl)-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]benzamide

Systemtic Name: 3,5-bis(fluoranyl)-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]benzamide Openeye Name: 3,5-difluoro-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]benzamide CAS Name: 3,5-difluoro-N-[2-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]benzamide IUPAC Name: 3,5-difluoro-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]benzamide Traditional Name: 3,5-difluoro-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]benzamide Formula: C21H24F2N3O3+ MolecularWeight: 404.430366

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C21H23F2N3O3/c22-16-12-15(13-17(23)14-16)20(27)25-19-5-2-1-4-18(19)21(28)24-6-3-7-26-8-10-29-11-9-26/h1-2,4-5,12-14H,3,6-11H2,(H,24,28)(H,25,27)/p+1