[4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(5-methyl-3-isoxazolyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H27N3O2/c1-13-6-17(20-24-13)18(23)21-2-4-22(5-3-21)19-10-14-7-15(11-19)9-16(8-14)12-19/h6,14-16H,2-5,7-12H2,1H3/p+1