2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(4-chlorophenyl)-2-adamantyl]ethanone CAS Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(4-chlorophenyl)-2-adamantyl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(4-chlorophenyl)-2-adamantyl]ethanone Formula: C29H36ClN2O+ MolecularWeight: 464.06194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3(C4CC5CC(C4)CC3C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3(C4CC5CC(C4)CC3C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H35ClN2O/c30-27-8-6-24(7-9-27)29(25-15-22-14-23(17-25)18-26(29)16-22)19-28(33)32-12-10-31(11-13-32)20-21-4-2-1-3-5-21/h1-9,22-23,25-26H,10-20H2/p+1