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

Systemtic Name: (3S)-3-(5-bromanyl-2-oxidanyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide Openeye Name: (3S)-3-(5-bromo-2-hydroxy-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide CAS Name: (3S)-3-(5-bromo-2-hydroxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-phenylpropanamide IUPAC Name: (3S)-3-(5-bromo-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide Traditional Name: (3S)-3-(5-bromo-2-hydroxy-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propionamide Formula: C22H28BrN2O3+ MolecularWeight: 448.37332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3/c23-18-7-8-21(26)20(15-18)19(17-5-2-1-3-6-17)16-22(27)24-9-4-10-25-11-13-28-14-12-25/h1-3,5-8,15,19,26H,4,9-14,16H2,(H,24,27)/p+1/t19-/m0/s1