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

Systemtic Name: 1-[2-(4-tert-butyl-2-chloranyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[2-(4-tert-butyl-2-chloro-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[2-(4-tert-butyl-2-chlorophenoxy)ethyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[2-(4-tert-butyl-2-chlorophenoxy)ethyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[2-(4-tert-butyl-2-chloro-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium Formula: C18H31ClN2O+2 MolecularWeight: 326.90454

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCOC2=C(C=C(C=C2)C(C)(C)C)Cl

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCOC2=C(C=C(C=C2)C(C)(C)C)Cl

InChI

InChI=1S/C18H29ClN2O/c1-5-20-8-10-21(11-9-20)12-13-22-17-7-6-15(14-16(17)19)18(2,3)4/h6-7,14H,5,8-13H2,1-4H3/p+2