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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)isoxazol-3-yl]methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-[5-(4-methoxyphenyl)-3-isoxazolyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-[5-(4-methoxyphenyl)isoxazol-3-yl]methanone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H31N3O3/c1-30-21-4-2-20(3-5-21)23-13-22(26-31-23)24(29)27-6-8-28(9-7-27)25-14-17-10-18(15-25)12-19(11-17)16-25/h2-5,13,17-19H,6-12,14-16H2,1H3/p+1