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

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(1-adamantyl)ethyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(1S)-1-(1-adamantyl)ethyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(1-adamantyl)ethyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(1-adamantyl)ethyl]acetamide Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C26H37N3O2/c1-18(30)23-3-5-24(6-4-23)29-9-7-28(8-10-29)17-25(31)27-19(2)26-14-20-11-21(15-26)13-22(12-20)16-26/h3-6,19-22H,7-17H2,1-2H3,(H,27,31)/p+1/t19-,20?,21?,22?,26?/m0/s1