1-[4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-tert-butyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C(C)(C)C

InChI

InChI=1S/C20H27N3OS/c1-15(24)16-5-7-18(8-6-16)23-11-9-22(10-12-23)13-17-14-25-19(21-17)20(2,3)4/h5-8,14H,9-13H2,1-4H3/p+1