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

Systemtic Name: 1-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Formula: C18H31BrN2O+2 MolecularWeight: 371.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrN2O/c1-4-20-8-10-21(11-9-20)7-5-6-12-22-18-16(3)13-15(2)14-17(18)19/h13-14H,4-12H2,1-3H3/p+2