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

Systemtic Name: 1-ethyl-4-[3-(2-iodanyl-4-methyl-phenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[3-(2-iodo-4-methyl-phenoxy)propyl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[3-(2-iodo-4-methylphenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[3-(2-iodo-4-methylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[3-(2-iodo-4-methyl-phenoxy)propyl]piperazine-1,4-diium Formula: C16H27IN2O+2 MolecularWeight: 390.30285

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)C)I

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)C)I

InChI

InChI=1S/C16H25IN2O/c1-3-18-8-10-19(11-9-18)7-4-12-20-16-6-5-14(2)13-15(16)17/h5-6,13H,3-4,7-12H2,1-2H3/p+2