1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-1-piperidin-1-iumyl)-2-phenylethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanone Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[N+]1(CCCCC1)C(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26NO3/c1-23(12-6-3-7-13-23)21(17-8-4-2-5-9-17)22(24)18-10-11-19-20(16-18)26-15-14-25-19/h2,4-5,8-11,16,21H,3,6-7,12-15H2,1H3/q+1