(2S)-N-(2,5-dimethylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-ketopiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H23N3O2/c1-14-8-9-15(2)17(12-14)22-20(25)19(16-6-4-3-5-7-16)23-11-10-21-18(24)13-23/h3-9,12,19H,10-11,13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t19-/m0/s1