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

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-prop-2-ynyl-acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-prop-2-ynylacetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-prop-2-ynylacetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-propargyl-acetamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-2-8-17-15(20)13-18-9-11-19(12-10-18)16(21)14-6-4-3-5-7-14/h1,3-7H,8-13H2,(H,17,20)/p+1