[4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O/c1-21-17(2-3-20-21)18(24)22-4-6-23(7-5-22)19-11-14-8-15(12-19)10-16(9-14)13-19/h2-3,14-16H,4-13H2,1H3/p+1