N-[2,5-dimethoxy-4-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2,5-dimethoxy-4-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-4-fluoro-benzamide CAS Name: N-[2,5-dimethoxy-4-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]phenyl]-4-fluorobenzamide IUPAC Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-4-fluorobenzamide Traditional Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-4-fluoro-benzamide Formula: C21H25FN3O5+ MolecularWeight: 418.438703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OC)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OC)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C21H24FN3O5/c1-28-18-12-17(24-21(27)14-3-5-15(22)6-4-14)19(29-2)11-16(18)23-20(26)13-25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H,24,27)/p+1