1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propan-1-one chloride

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propan-1-one chloride Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoindolin-2-ium-2-yl-propan-1-one chloride CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-1-propanone chloride IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propan-1-one chloride Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoindolin-2-ium-2-yl-propan-1-one chloride Formula: C19H20ClNO3 MolecularWeight: 345.82

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CC4=CC=CC=C4C3.[Cl-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CC4=CC=CC=C4C3.[Cl-]

InChI

InChI=1S/C19H19NO3.ClH/c21-17(14-5-6-18-19(11-14)23-10-9-22-18)7-8-20-12-15-3-1-2-4-16(15)13-20;/h1-6,11H,7-10,12-13H2;1H