N-[(E)-1-(2-fluorophenyl)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-1-(2-fluorophenyl)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-(2-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-1-(2-fluorophenyl)-3-[3-(4-morpholin-4-iumyl)propylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(2-fluorophenyl)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-(2-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropylcarbamoyl)vinyl]benzamide Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C(=CC2=CC=CC=C2F)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)/C(=C\C2=CC=CC=C2F)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26FN3O3/c24-20-10-5-4-9-19(20)17-21(26-22(28)18-7-2-1-3-8-18)23(29)25-11-6-12-27-13-15-30-16-14-27/h1-5,7-10,17H,6,11-16H2,(H,25,29)(H,26,28)/p+1/b21-17+