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

Systemtic Name: 1-[4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Formula: C17H28BrClN2O+2 MolecularWeight: 391.77402

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2Br)C)Cl

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2Br)C)Cl

InChI

InChI=1S/C17H26BrClN2O/c1-3-20-7-9-21(10-8-20)6-4-5-11-22-17-15(18)12-14(2)13-16(17)19/h12-13H,3-11H2,1-2H3/p+2