1-[2-(2,3,6-trimethylphenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepan-1-ium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO/c1-14-8-9-15(2)17(16(14)3)19-13-12-18-10-6-4-5-7-11-18/h8-9H,4-7,10-13H2,1-3H3/p+1