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

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-chloranyl-2-methyl-pyrazol-3-yl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-chloro-2-methyl-pyrazol-3-yl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(4-chloro-2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-chloro-2-methylpyrazol-3-yl)methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-chloro-2-methyl-pyrazol-3-yl)methanone Formula: C19H28ClN4O+ MolecularWeight: 363.90482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C19H27ClN4O/c1-22-18(16(20)11-21-22)19(25)24-4-2-23(3-5-24)17-14-7-12-6-13(9-14)10-15(17)8-12/h11-15,17H,2-10H2,1H3/p+1