3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one chloride

Systemtic Name: 3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one chloride Openeye Name: 3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one chloride CAS Name: 3-(1-piperidin-1-iumyl)-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-1-propanone chloride IUPAC Name: 3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one chloride Traditional Name: 3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one chloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCCCCO3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCCCCO3.[Cl-]

InChI

InChI=1S/C18H25NO3.ClH/c20-16(8-11-19-9-2-1-3-10-19)15-6-7-17-18(14-15)22-13-5-4-12-21-17;/h6-7,14H,1-5,8-13H2;1H