N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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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=C(C=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3S/c1-6-22(7-2,8-3)23-21(26)17-24-13-15-25(16-14-24)29(27,28)20-11-9-19(10-12-20)18(4)5/h1,9-12,18H,7-8,13-17H2,2-5H3,(H,23,26)/p+1