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

Systemtic Name: 3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one Openeye Name: 3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one CAS Name: 3-(1-piperidin-1-iumyl)-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-1-propanone IUPAC Name: 3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one Traditional Name: 3-piperidin-1-ium-1-yl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one Formula: C18H26NO3+ MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3/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/p+1