N-(1-adamantyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1-adamantyl)-2-(4-benzoyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1-adamantyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H31N3O2/c27-21(24-23-13-17-10-18(14-23)12-19(11-17)15-23)16-25-6-8-26(9-7-25)22(28)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2,(H,24,27)/p+1