(2S)-N-[4-methyl-2-(phenylcarbonyl)phenyl]-2-morpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-[4-methyl-2-(phenylcarbonyl)phenyl]-2-morpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(2-benzoyl-4-methyl-phenyl)-2-morpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(2-benzoyl-4-methylphenyl)-2-(4-morpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-benzoyl-4-methylphenyl)-2-morpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(2-benzoyl-4-methyl-phenyl)-2-morpholin-4-ium-4-yl-propionamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCOCC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCOCC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-15-8-9-19(18(14-15)20(24)17-6-4-3-5-7-17)22-21(25)16(2)23-10-12-26-13-11-23/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1