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

Systemtic Name: N-[(E)-1-(2-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-(2-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-1-(2-fluorophenyl)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(2-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-(2-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]benzamide Formula: C22H25FN3O3+ MolecularWeight: 398.450603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O3/c23-19-9-5-4-8-18(19)16-20(25-21(27)17-6-2-1-3-7-17)22(28)24-10-11-26-12-14-29-15-13-26/h1-9,16H,10-15H2,(H,24,28)(H,25,27)/p+1/b20-16+