N-(3-bromanyl-4-methyl-phenyl)-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-morpholin-4-ium-4-yl-acetamide Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCOCC2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCOCC2)Br

InChI

InChI=1S/C13H17BrN2O2/c1-10-2-3-11(8-12(10)14)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17)/p+1