1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(4-bromo-2,6-dimethyl-phenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(4-bromo-2,6-dimethyl-phenoxy)ethyl]azepan-1-ium Formula: C16H25BrNO+ MolecularWeight: 327.2798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC[NH+]2CCCCCC2)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC[NH+]2CCCCCC2)C)Br

InChI

InChI=1S/C16H24BrNO/c1-13-11-15(17)12-14(2)16(13)19-10-9-18-7-5-3-4-6-8-18/h11-12H,3-10H2,1-2H3/p+1