1-[2-(2-tert-butyl-4-chloranyl-phenoxy)ethyl]piperazine-1,4-diium

Systemtic Name: 1-[2-(2-tert-butyl-4-chloranyl-phenoxy)ethyl]piperazine-1,4-diium Openeye Name: 1-[2-(2-tert-butyl-4-chloro-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperazine-1,4-diium IUPAC Name: 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-[2-(2-tert-butyl-4-chloro-phenoxy)ethyl]piperazine-1,4-diium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCC[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C16H25ClN2O/c1-16(2,3)14-12-13(17)4-5-15(14)20-11-10-19-8-6-18-7-9-19/h4-5,12,18H,6-11H2,1-3H3/p+2