1-[2-(2,4-dimethylphenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(2,4-dimethylphenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(2,4-dimethylphenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(2,4-dimethylphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(2,4-dimethylphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(2,4-dimethylphenoxy)ethyl]azepan-1-ium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO/c1-14-7-8-16(15(2)13-14)18-12-11-17-9-5-3-4-6-10-17/h7-8,13H,3-6,9-12H2,1-2H3/p+1