(3S)-3-(5-bromanyl-2-oxidanyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide

Systemtic Name: (3S)-3-(5-bromanyl-2-oxidanyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide Openeye Name: (3S)-3-(5-bromo-2-hydroxy-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide CAS Name: (3S)-3-(5-bromo-2-hydroxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: (3S)-3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpropanamide Traditional Name: (3S)-3-(5-bromo-2-hydroxy-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propionamide Formula: C21H26BrN2O3+ MolecularWeight: 434.34674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C[C@@H](C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H25BrN2O3/c22-17-6-7-20(25)19(14-17)18(16-4-2-1-3-5-16)15-21(26)23-8-9-24-10-12-27-13-11-24/h1-7,14,18,25H,8-13,15H2,(H,23,26)/p+1/t18-/m0/s1