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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2/c1-3-4-5-6-9-17(2)21-20(25)16-22-12-14-23(15-13-22)18-10-7-8-11-19(18)24/h7-8,10-11,17,24H,3-6,9,12-16H2,1-2H3,(H,21,25)/p+1/t17-/m0/s1