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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H27FN3O3S+ MolecularWeight: 396.499383

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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=CC(=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C19H26FN3O3S/c1-4-19(5-2,6-3)21-18(24)15-22-10-12-23(13-11-22)27(25,26)17-9-7-8-16(20)14-17/h1,7-9,14H,5-6,10-13,15H2,2-3H3,(H,21,24)/p+1