2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-6-methylheptan-2-yl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H34N3O2+ MolecularWeight: 348.50286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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