1-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-25(2,3)24-26-21(31-27-24)18-28-14-16-29(17-15-28)23(30)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3/p+1