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

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1H-pyrazol-5-yl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1H-pyrazol-5-yl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(1H-pyrazol-5-yl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1H-pyrazol-5-yl)methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(1H-pyrazol-5-yl)methanone Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=NN5

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=NN5

InChI

InChI=1S/C18H26N4O/c23-18(16-1-2-19-20-16)22-5-3-21(4-6-22)17-14-8-12-7-13(10-14)11-15(17)9-12/h1-2,12-15,17H,3-11H2,(H,19,20)/p+1