2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanone Formula: C22H26NO4+ MolecularWeight: 368.44614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CCOC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H25NO4/c24-22(18-6-7-20-21(16-18)27-15-14-26-20)17-8-10-23(11-9-17)12-13-25-19-4-2-1-3-5-19/h1-7,16-17H,8-15H2/p+1