1-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium Formula: C15H25BrN2O+2 MolecularWeight: 329.2758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O/c1-3-17-6-8-18(9-7-17)10-11-19-15-5-4-14(16)12-13(15)2/h4-5,12H,3,6-11H2,1-2H3/p+2