2-(4-tert-butylphenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)13-4-6-14(7-5-13)20-12-15(19)18-10-8-17-9-11-18/h4-7,17H,8-12H2,1-3H3/p+1