N-(3-ethylpent-1-yn-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H26N3O3S2+ MolecularWeight: 384.53664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H25N3O3S2/c1-4-17(5-2,6-3)18-15(21)14-19-9-11-20(12-10-19)25(22,23)16-8-7-13-24-16/h1,7-8,13H,5-6,9-12,14H2,2-3H3,(H,18,21)/p+1