(2S)-N-(4-ethylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCNC(=O)C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H21N3O2/c1-3-12-4-6-13(7-5-12)17-15(20)11(2)18-9-8-16-14(19)10-18/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)/p+1/t11-/m0/s1