1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-one

Systemtic Name: 1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-one Openeye Name: 1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-one CAS Name: 1-[3-(2,5-dimethylphenoxy)propyl]-4-piperidin-1-iumone IUPAC Name: 1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-one Traditional Name: 1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-one Formula: C16H24NO2+ MolecularWeight: 262.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC[NH+]2CCC(=O)CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC[NH+]2CCC(=O)CC2

InChI

InChI=1S/C16H23NO2/c1-13-4-5-14(2)16(12-13)19-11-3-8-17-9-6-15(18)7-10-17/h4-5,12H,3,6-11H2,1-2H3/p+1