2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,4-dimethylpentyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,4-dimethylpentyl]acetamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2/c1-16(2)5-6-17(3)22-21(26)15-23-11-13-24(14-12-23)20-9-7-19(8-10-20)18(4)25/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,22,26)/p+1/t17-/m0/s1