1-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium Formula: C16H26BrClN2O+2 MolecularWeight: 377.74744

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2Br)C)Cl

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2Br)C)Cl

InChI

InChI=1S/C16H24BrClN2O/c1-3-19-6-8-20(9-7-19)5-4-10-21-16-14(17)11-13(2)12-15(16)18/h11-12H,3-10H2,1-2H3/p+2