2-(2-tert-butyl-6-methyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(2-tert-butyl-6-methyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(2-tert-butyl-6-methyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(2-tert-butyl-6-methylphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2-tert-butyl-6-methylphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(2-tert-butyl-6-methyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)OCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)OCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H26N2O2/c1-13-6-5-7-14(17(2,3)4)16(13)21-12-15(20)19-10-8-18-9-11-19/h5-7,18H,8-12H2,1-4H3/p+1