4-[2-(2,5-dimethoxyphenyl)ethyl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[2-(2,5-dimethoxyphenyl)ethyl]-1,4-oxazepan-4-ium Openeye Name: 4-[2-(2,5-dimethoxyphenyl)ethyl]-1,4-oxazepan-4-ium CAS Name: 4-[2-(2,5-dimethoxyphenyl)ethyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[2-(2,5-dimethoxyphenyl)ethyl]-1,4-oxazepan-4-ium Traditional Name: 4-[2-(2,5-dimethoxyphenyl)ethyl]-1,4-oxazepan-4-ium Formula: C15H24NO3+ MolecularWeight: 266.35596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC[NH+]2CCCOCC2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC[NH+]2CCCOCC2

InChI

InChI=1S/C15H23NO3/c1-17-14-4-5-15(18-2)13(12-14)6-8-16-7-3-10-19-11-9-16/h4-5,12H,3,6-11H2,1-2H3/p+1