[4-(2-adamantyl)piperazin-4-ium-1-yl]-(1-ethyl-5-methyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1-ethyl-5-methyl-pyrazol-4-yl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1-ethyl-5-methyl-pyrazol-4-yl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(1-ethyl-5-methyl-4-pyrazolyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1-ethyl-5-methyl-pyrazol-4-yl)methanone Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C21H32N4O/c1-3-25-14(2)19(13-22-25)21(26)24-6-4-23(5-7-24)20-17-9-15-8-16(11-17)12-18(20)10-15/h13,15-18,20H,3-12H2,1-2H3/p+1