1-[2-(2-iodanyl-4-methyl-phenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(2-iodanyl-4-methyl-phenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(2-iodo-4-methyl-phenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(2-iodo-4-methylphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(2-iodo-4-methylphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(2-iodo-4-methyl-phenoxy)ethyl]azepan-1-ium Formula: C15H23INO+ MolecularWeight: 360.25369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[NH+]2CCCCCC2)I

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[NH+]2CCCCCC2)I

InChI

InChI=1S/C15H22INO/c1-13-6-7-15(14(16)12-13)18-11-10-17-8-4-2-3-5-9-17/h6-7,12H,2-5,8-11H2,1H3/p+1