1-[3-(4-chloranyl-2-methyl-phenoxy)propyl]piperidin-1-ium-4-one

Systemtic Name: 1-[3-(4-chloranyl-2-methyl-phenoxy)propyl]piperidin-1-ium-4-one Openeye Name: 1-[3-(4-chloro-2-methyl-phenoxy)propyl]piperidin-1-ium-4-one CAS Name: 1-[3-(4-chloro-2-methylphenoxy)propyl]-4-piperidin-1-iumone IUPAC Name: 1-[3-(4-chloro-2-methylphenoxy)propyl]piperidin-1-ium-4-one Traditional Name: 1-[3-(4-chloro-2-methyl-phenoxy)propyl]piperidin-1-ium-4-one Formula: C15H21ClNO2+ MolecularWeight: 282.78574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO2/c1-12-11-13(16)3-4-15(12)19-10-2-7-17-8-5-14(18)6-9-17/h3-4,11H,2,5-10H2,1H3/p+1