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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-isoxazol-4-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(3-ethyl-5-methyl-4-isoxazolyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-isoxazol-4-yl)methanone Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H31N3O2/c1-3-18-19(14(2)26-22-18)20(25)23-4-6-24(7-5-23)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-17H,3-13H2,1-2H3/p+1