1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C17H24ClNO3 MolecularWeight: 325.83036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCCCO3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCCCO3.[Cl-]

InChI

InChI=1S/C17H23NO3.ClH/c19-15(7-10-18-8-2-1-3-9-18)14-5-6-16-17(13-14)21-12-4-11-20-16;/h5-6,13H,1-4,7-12H2;1H