1-butyl-1-ethyl-azepan-1-ium iodide

Systemtic Name: 1-butyl-1-ethyl-azepan-1-ium iodide Openeye Name: 1-butyl-1-ethyl-azepan-1-ium iodide CAS Name: 1-butyl-1-ethylazepan-1-ium iodide IUPAC Name: 1-butyl-1-ethylazepan-1-ium iodide Traditional Name: 1-butyl-1-ethyl-azepan-1-ium iodide Formula: C12H26IN MolecularWeight: 311.24601

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCCCC1)CC.[I-]

Isomeric SMILES

CCCC[N+]1(CCCCCC1)CC.[I-]

InChI

InChI=1S/C12H26N.HI/c1-3-5-10-13(4-2)11-8-6-7-9-12-13;/h3-12H2,1-2H3;1H/q+1;/p-1