2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-N-[4-(4-bromophenyl)thiazol-2-yl]acetamide CAS Name: 2-[4-(1-adamantyl)-1-piperazin-4-iumyl]-N-[4-(4-bromophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-N-[4-(4-bromophenyl)thiazol-2-yl]acetamide Formula: C25H32BrN4OS+ MolecularWeight: 516.51678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)CC(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Br

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)CC(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Br

InChI

InChI=1S/C25H31BrN4OS/c26-21-3-1-20(2-4-21)22-16-32-24(27-22)28-23(31)15-29-5-7-30(8-6-29)25-12-17-9-18(13-25)11-19(10-17)14-25/h1-4,16-19H,5-15H2,(H,27,28,31)/p+1