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

Systemtic Name: 1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-one Openeye Name: 1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-one CAS Name: 1-[3-(3,5-dimethylphenoxy)propyl]-4-piperidin-1-iumone IUPAC Name: 1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-one Traditional Name: 1-[3-(3,5-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(=CC(=C1)OCCC[NH+]2CCC(=O)CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-13-10-14(2)12-16(11-13)19-9-3-6-17-7-4-15(18)5-8-17/h10-12H,3-9H2,1-2H3/p+1