1-[3-(4-tert-butyl-2-methyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[3-(4-tert-butyl-2-methylphenoxy)propyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[3-(4-tert-butyl-2-methylphenoxy)propyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium Formula: C20H36N2O+2 MolecularWeight: 320.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C20H34N2O/c1-6-21-11-13-22(14-12-21)10-7-15-23-19-9-8-18(16-17(19)2)20(3,4)5/h8-9,16H,6-7,10-15H2,1-5H3/p+2