[4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-bromanyl-2-methyl-pyrazol-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-bromanyl-2-methyl-pyrazol-3-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-bromo-2-methyl-pyrazol-3-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(4-bromo-2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-bromo-2-methylpyrazol-3-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-bromo-2-methyl-pyrazol-3-yl)methanone Formula: C19H28BrN4O+ MolecularWeight: 408.35582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H27BrN4O/c1-22-17(16(20)12-21-22)18(25)23-2-4-24(5-3-23)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3/p+1