N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-2-(2-morpholin-4-ium-4-ylethanoylamino)ethanamide

Systemtic Name: N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-2-(2-morpholin-4-ium-4-ylethanoylamino)ethanamide Openeye Name: N-(2-benzoyl-4-bromo-phenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]acetamide CAS Name: N-(2-benzoyl-4-bromophenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-(2-benzoyl-4-bromophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]acetamide Traditional Name: N-(2-benzoyl-4-bromo-phenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]acetamide Formula: C21H23BrN3O4+ MolecularWeight: 461.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O4/c22-16-6-7-18(17(12-16)21(28)15-4-2-1-3-5-15)24-19(26)13-23-20(27)14-25-8-10-29-11-9-25/h1-7,12H,8-11,13-14H2,(H,23,27)(H,24,26)/p+1