N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2/c1-4-19(5-2,6-3)20-18(24)15-21-11-13-22(14-12-21)16-7-9-17(23)10-8-16/h1,7-10,23H,5-6,11-15H2,2-3H3,(H,20,24)/p+1