N-(4-ethanoylphenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-ethanoylphenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-acetylphenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-acetylphenyl)-3-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(4-acetylphenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-acetylphenyl)-3-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C15H20N3O3+ MolecularWeight: 290.3376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c1-11(19)12-2-4-13(5-3-12)17-14(20)6-8-18-9-7-16-15(21)10-18/h2-5H,6-10H2,1H3,(H,16,21)(H,17,20)/p+1