2-(4-chloranylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(4-chlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(4-chlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-(4-chlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C14H20ClN2O2+ MolecularWeight: 283.7738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2O2/c1-16-7-2-8-17(10-9-16)14(18)11-19-13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3/p+1