1-(5-chloranyl-2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-(5-chloranyl-2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-(5-chloro-2-ethyl-benzofuran-3-yl)-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-(5-chloro-2-ethyl-3-benzofuranyl)-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-(5-chloro-2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-(5-chloro-2-ethyl-benzofuran-3-yl)-3-piperidin-1-ium-1-yl-propan-1-one Formula: C18H23ClNO2+ MolecularWeight: 320.83372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(O1)C=CC(=C2)Cl)C(=O)CC[NH+]3CCCCC3

Isomeric SMILES

CCC1=C(C2=C(O1)C=CC(=C2)Cl)C(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C18H22ClNO2/c1-2-16-18(14-12-13(19)6-7-17(14)22-16)15(21)8-11-20-9-4-3-5-10-20/h6-7,12H,2-5,8-11H2,1H3/p+1