5-bromanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxidanyl-benzamide Openeye Name: 5-bromo-2-hydroxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 5-bromo-2-hydroxy-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 5-bromo-2-hydroxy-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C19H21BrN2O3/c20-16-5-6-18(23)17(11-16)19(24)21-12-14-1-3-15(4-2-14)13-22-7-9-25-10-8-22/h1-6,11,23H,7-10,12-13H2,(H,21,24)/p+1