[4-(1-adamantyl)piperazin-4-ium-1-yl]-(6-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(6-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(6-bromo-2-pyrazolo[1,5-a]pyrimidinyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone Formula: C21H27BrN5O+ MolecularWeight: 445.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=NN6C=C(C=NC6=C5)Br

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=NN6C=C(C=NC6=C5)Br

InChI

InChI=1S/C21H26BrN5O/c22-17-12-23-19-8-18(24-27(19)13-17)20(28)25-1-3-26(4-2-25)21-9-14-5-15(10-21)7-16(6-14)11-21/h8,12-16H,1-7,9-11H2/p+1