[4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(1-ethyl-3-pyrazolyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C=CC(=N1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H30N4O/c1-2-24-4-3-18(21-24)19(25)22-5-7-23(8-6-22)20-12-15-9-16(13-20)11-17(10-15)14-20/h3-4,15-17H,2,5-14H2,1H3/p+1