2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(1,1-diethylprop-2-ynyl)acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(1,1-diethylprop-2-ynyl)acetamide Formula: C20H27ClN3O2+ MolecularWeight: 376.90028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H26ClN3O2/c1-4-20(5-2,6-3)22-18(25)15-23-11-13-24(14-12-23)19(26)16-9-7-8-10-17(16)21/h1,7-10H,5-6,11-15H2,2-3H3,(H,22,25)/p+1