N-[(2S)-2-ethylhexyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H34N3O2+ MolecularWeight: 348.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C20H33N3O2/c1-3-5-8-17(4-2)15-21-20(25)16-22-11-13-23(14-12-22)18-9-6-7-10-19(18)24/h6-7,9-10,17,24H,3-5,8,11-16H2,1-2H3,(H,21,25)/p+1/t17-/m0/s1