1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(4-bromanylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(4-bromanylpyrazol-1-yl)propan-1-one Openeye Name: 1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(4-bromopyrazol-1-yl)propan-1-one CAS Name: 1-[4-(2-adamantyl)-1-piperazin-4-iumyl]-3-(4-bromo-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(4-bromopyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(4-bromopyrazol-1-yl)propan-1-one Formula: C20H30BrN4O+ MolecularWeight: 422.3824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)CCN5C=C(C=N5)Br

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)CCN5C=C(C=N5)Br

InChI

InChI=1S/C20H29BrN4O/c21-18-12-22-25(13-18)2-1-19(26)23-3-5-24(6-4-23)20-16-8-14-7-15(10-16)11-17(20)9-14/h12-17,20H,1-11H2/p+1