2-(1-adamantyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]acetamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O2/c29-23(16-25-13-20-10-21(14-25)12-22(11-20)15-25)26-17-24(30)28-8-6-27(7-9-28)18-19-4-2-1-3-5-19/h1-5,20-22H,6-18H2,(H,26,29)/p+1