N-(4-butylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-butylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-butylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-butylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-butylphenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C16H23N3O2/c1-2-3-4-13-5-7-14(8-6-13)18-16(21)12-19-10-9-17-15(20)11-19/h5-8H,2-4,9-12H2,1H3,(H,17,20)(H,18,21)/p+1