tert-butyl-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: tert-butyl-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanyl-propyl]azanium chloride Openeye Name: tert-butyl-[3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-hydroxy-propyl]ammonium chloride CAS Name: tert-butyl-[3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-hydroxypropyl]ammonium chloride IUPAC Name: tert-butyl-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-hydroxypropyl]azanium chloride Traditional Name: tert-butyl-[3-(2,2-dimethylcoumaran-7-yl)oxy-2-hydroxy-propyl]ammonium chloride Formula: C17H28ClNO3 MolecularWeight: 329.86212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(C[NH2+]C(C)(C)C)O)C.[Cl-]

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(C[NH2+]C(C)(C)C)O)C.[Cl-]

InChI

InChI=1S/C17H27NO3.ClH/c1-16(2,3)18-10-13(19)11-20-14-8-6-7-12-9-17(4,5)21-15(12)14;/h6-8,13,18-19H,9-11H2,1-5H3;1H