N-butyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-butyl-acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-butylacetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-butylacetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-butyl-acetamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H25N3O2/c1-2-3-9-18-16(21)14-19-10-12-20(13-11-19)17(22)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,18,21)/p+1