2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone chloride

Systemtic Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone chloride Openeye Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone chloride CAS Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-methyl-1-piperazin-4-iumyl)ethanone chloride IUPAC Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone chloride Traditional Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone chloride Formula: C23H32Cl2N2O MolecularWeight: 423.41898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CC2(C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)Cl.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC2(C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)Cl.[Cl-]

InChI

InChI=1S/C23H31ClN2O.ClH/c1-25-6-8-26(9-7-25)22(27)15-23(18-2-4-21(24)5-3-18)19-11-16-10-17(13-19)14-20(23)12-16;/h2-5,16-17,19-20H,6-15H2,1H3;1H