1-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(4-chloro-3,5-dimethyl-phenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(4-chloro-3,5-dimethyl-phenoxy)ethyl]azepan-1-ium Formula: C16H25ClNO+ MolecularWeight: 282.8288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC[NH+]2CCCCCC2

InChI

InChI=1S/C16H24ClNO/c1-13-11-15(12-14(2)16(13)17)19-10-9-18-7-5-3-4-6-8-18/h11-12H,3-10H2,1-2H3/p+1