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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide Formula: C19H32N3O2+ MolecularWeight: 334.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2/c1-3-4-5-6-16(2)20-19(24)15-21-11-13-22(14-12-21)17-7-9-18(23)10-8-17/h7-10,16,23H,3-6,11-15H2,1-2H3,(H,20,24)/p+1/t16-/m0/s1