1-(1-adamantyl)-4-(5-bromanylthiophen-2-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(5-bromanylthiophen-2-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-[(5-bromo-2-thiophenyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium Formula: C18H26BrN2O2S2+ MolecularWeight: 446.44524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(S5)Br

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C18H25BrN2O2S2/c19-16-1-2-17(24-16)25(22,23)21-5-3-20(4-6-21)18-10-13-7-14(11-18)9-15(8-13)12-18/h1-2,13-15H,3-12H2/p+1