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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2/c1-4-5-6-7-17(2)22-21(26)16-23-12-14-24(15-13-23)20-10-8-19(9-11-20)18(3)25/h8-11,17H,4-7,12-16H2,1-3H3,(H,22,26)/p+1/t17-/m0/s1