N-[(1S,2S)-2-tert-butylcyclohexyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S,2S)-2-tert-butylcyclohexyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-tert-butylcyclohexyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(1S,2S)-2-tert-butylcyclohexyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-tert-butylcyclohexyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-tert-butylcyclohexyl]acetamide Formula: C24H38N3O2+ MolecularWeight: 400.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3CCCCC3C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N[C@H]3CCCC[C@H]3C(C)(C)C

InChI

InChI=1S/C24H37N3O2/c1-18(28)19-9-11-20(12-10-19)27-15-13-26(14-16-27)17-23(29)25-22-8-6-5-7-21(22)24(2,3)4/h9-12,21-22H,5-8,13-17H2,1-4H3,(H,25,29)/p+1/t21-,22+/m1/s1