(2R)-N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-2-morpholin-4-ium-4-yl-propanamide

Systemtic Name: (2R)-N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-2-morpholin-4-ium-4-yl-propanamide Openeye Name: (2R)-N-(2-benzoyl-4-bromo-phenyl)-2-morpholin-4-ium-4-yl-propanamide CAS Name: (2R)-N-(2-benzoyl-4-bromophenyl)-2-(4-morpholin-4-iumyl)propanamide IUPAC Name: (2R)-N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ium-4-ylpropanamide Traditional Name: (2R)-N-(2-benzoyl-4-bromo-phenyl)-2-morpholin-4-ium-4-yl-propionamide Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C20H21BrN2O3/c1-14(23-9-11-26-12-10-23)20(25)22-18-8-7-16(21)13-17(18)19(24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)/p+1/t14-/m1/s1