1-(1-adamantyl)-4-(4-bromophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(4-bromophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(4-bromophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(4-bromophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-bromophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-brosyl-piperazin-1-ium Formula: C20H28BrN2O2S+ MolecularWeight: 440.41752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C20H27BrN2O2S/c21-18-1-3-19(4-2-18)26(24,25)23-7-5-22(6-8-23)20-12-15-9-16(13-20)11-17(10-15)14-20/h1-4,15-17H,5-14H2/p+1