3-[2-[3-(4-tert-butylphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-[2-[3-(4-tert-butylphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[2-[3-(4-tert-butylbenzoyl)-1-piperidyl]-2-oxo-ethyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-[2-[3-[(4-tert-butylphenyl)-oxomethyl]-1-piperidinyl]-2-oxoethyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[2-[3-(4-tert-butylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[2-[3-(4-tert-butylbenzoyl)piperidino]-2-keto-ethyl]-2H-oxadiazol-3-ium-5-one Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)C[N+]3=CC(=O)ON3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)C[N+]3=CC(=O)ON3

InChI

InChI=1S/C20H25N3O4/c1-20(2,3)16-8-6-14(7-9-16)19(26)15-5-4-10-22(11-15)17(24)12-23-13-18(25)27-21-23/h6-9,13,15H,4-5,10-12H2,1-3H3/p+1