3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4O2/c1-20(2,3)16-7-5-15(6-8-16)19-21-17(26-22-19)9-10-18(25)24-13-11-23(4)12-14-24/h5-8H,9-14H2,1-4H3/p+1