(1-tert-butylazetidin-1-ium-3-yl) 3,4,5-trimethoxybenzoate chloride

Systemtic Name: (1-tert-butylazetidin-1-ium-3-yl) 3,4,5-trimethoxybenzoate chloride Openeye Name: (1-tert-butylazetidin-1-ium-3-yl) 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid (1-tert-butyl-3-azetidin-1-iumyl) ester chloride IUPAC Name: (1-tert-butylazetidin-1-ium-3-yl) 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid (1-tert-butylazetidin-1-ium-3-yl) ester chloride Formula: C17H26ClNO5 MolecularWeight: 359.84504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]1CC(C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

Isomeric SMILES

CC(C)(C)[NH+]1CC(C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

InChI

InChI=1S/C17H25NO5.ClH/c1-17(2,3)18-9-12(10-18)23-16(19)11-7-13(20-4)15(22-6)14(8-11)21-5;/h7-8,12H,9-10H2,1-6H3;1H