1-(3,3-dimethyl-2H-1,4-benzodioxin-2-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-(3,3-dimethyl-2H-1,4-benzodioxin-2-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(3,3-dimethyl-2H-1,4-benzodioxin-2-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(3,3-dimethyl-2H-1,4-benzodioxin-2-yl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(3,3-dimethyl-2H-1,4-benzodioxin-2-yl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(3,3-dimethyl-2H-1,4-benzodioxin-2-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=CC=CC=C2O1)C(=O)CC[NH+]3CCCCC3)C.[Cl-]

Isomeric SMILES

CC1(C(OC2=CC=CC=C2O1)C(=O)CC[NH+]3CCCCC3)C.[Cl-]

InChI

InChI=1S/C18H25NO3.ClH/c1-18(2)17(21-15-8-4-5-9-16(15)22-18)14(20)10-13-19-11-6-3-7-12-19;/h4-5,8-9,17H,3,6-7,10-13H2,1-2H3;1H