1-[4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)butyl]-4-ethyl-piperazin-1-ium

Systemtic Name: 1-[4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)butyl]-4-ethyl-piperazin-1-ium Openeye Name: 1-[4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl]-4-ethyl-piperazin-1-ium CAS Name: 1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazin-1-ium IUPAC Name: 1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazin-1-ium Traditional Name: 1-[4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl]-4-ethyl-piperazin-1-ium Formula: C17H27BrClN2O+ MolecularWeight: 390.76608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2Br)C)Cl

Isomeric SMILES

CCN1CC[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+1