(3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride

Systemtic Name: (3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Openeye Name: (3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride CAS Name: (3,5-dimethyl-1-adamantyl)-(4-methyl-1-piperazin-4-iumyl)methanone chloride IUPAC Name: (3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Traditional Name: (3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-4-ium-1-yl)methanone chloride Formula: C18H31ClN2O MolecularWeight: 326.90454

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CC[NH+](CC4)C)C.[Cl-]

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CC[NH+](CC4)C)C.[Cl-]

InChI

InChI=1S/C18H30N2O.ClH/c1-16-8-14-9-17(2,11-16)13-18(10-14,12-16)15(21)20-6-4-19(3)5-7-20;/h14H,4-13H2,1-3H3;1H