2-(2,4-ditert-butylphenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(2,4-ditert-butylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(2,4-ditert-butylphenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(2,4-ditert-butylphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2,4-ditert-butylphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(2,4-ditert-butylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O2/c1-19(2,3)15-7-8-17(16(13-15)20(4,5)6)24-14-18(23)22-11-9-21-10-12-22/h7-8,13,21H,9-12,14H2,1-6H3/p+1