(2R)-2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: (2R)-2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)ethanamide Openeye Name: (2R)-2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetamide CAS Name: (2R)-2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(4-chlorophenyl)acetamide IUPAC Name: (2R)-2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetamide Traditional Name: (2R)-2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetamide Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)Cl)C(=O)N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=C(C=C2)Cl)C(=O)N)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30ClN3O2/c24-19-3-1-18(2-4-19)20(21(25)28)26-5-7-27(8-6-26)22(29)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17,20H,5-14H2,(H2,25,28)/p+1/t15?,16?,17?,20-,23?/m1/s1