1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidin-1-ium chloride

Systemtic Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidin-1-ium chloride Openeye Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidin-1-ium chloride CAS Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidin-1-ium chloride IUPAC Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidin-1-ium chloride Traditional Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidin-1-ium chloride Formula: C14H20ClNO2 MolecularWeight: 269.7671

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2OCC3=CC=CC=C3CO2.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CC2OCC3=CC=CC=C3CO2.[Cl-]

InChI

InChI=1S/C14H19NO2.ClH/c1-2-6-13-11-17-14(16-10-12(13)5-1)9-15-7-3-4-8-15;/h1-2,5-6,14H,3-4,7-11H2;1H