93942-34-8 Purity
96%
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Specification
The molecular formula is C15H20ClNOS.
The molecular weight is 297.8 g/mol.
The IUPAC name is dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium;chloride.
The InChI is InChI=1S/C15H20NOS.ClH/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;/h3-9,12H,10-11,13H2,1-2H3;1H/q+1;/p-1.
The Canonical SMILES is C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.[Cl-].
The CAS number is 93942-37-1.
The EC Number is 300-589-7.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 37.5 Ų.
Yes, the compound is canonicalized according to PubChem.