1-(1-adamantyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-(1-adamantyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)ethanone Formula: C23H34N2O+2 MolecularWeight: 354.52886

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O/c26-22(23-13-19-10-20(14-23)12-21(11-19)15-23)17-25-8-6-24(7-9-25)16-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2/p+2