1-(2-adamantyl)-4-(4-chlorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonyl-piperazin-1-ium Formula: C20H28ClN2O2S+ MolecularWeight: 395.96652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H27ClN2O2S/c21-18-1-3-19(4-2-18)26(24,25)23-7-5-22(6-8-23)20-16-10-14-9-15(12-16)13-17(20)11-14/h1-4,14-17,20H,5-13H2/p+1