(2S)-N-ethyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-(3-oxo-1-piperazin-1-iumyl)-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-(3-ketopiperazin-1-ium-1-yl)-N-phenyl-propionamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)[NH+]2CCNC(=O)C2

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H21N3O2/c1-3-18(13-7-5-4-6-8-13)15(20)12(2)17-10-9-16-14(19)11-17/h4-8,12H,3,9-11H2,1-2H3,(H,16,19)/p+1/t12-/m0/s1