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

Systemtic Name: 2-(2-tert-butyl-4-ethyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(2-tert-butyl-4-ethyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(2-tert-butyl-4-ethylphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2-tert-butyl-4-ethylphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(2-tert-butyl-4-ethyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)N2CC[NH2+]CC2)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)N2CC[NH2+]CC2)C(C)(C)C

InChI

InChI=1S/C18H28N2O2/c1-5-14-6-7-16(15(12-14)18(2,3)4)22-13-17(21)20-10-8-19-9-11-20/h6-7,12,19H,5,8-11,13H2,1-4H3/p+1