(2R)-N-(1-adamantyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(1-adamantyl)propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(1-adamantyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(1-adamantyl)propanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(1-adamantyl)propionamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C25H35N3O2/c1-17(24(30)26-25-14-19-11-20(15-25)13-21(12-19)16-25)27-7-9-28(10-8-27)23-5-3-22(4-6-23)18(2)29/h3-6,17,19-21H,7-16H2,1-2H3,(H,26,30)/p+1/t17-,19?,20?,21?,25?/m1/s1