94107-92-3 Purity
96%
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The molecular formula is C19H27N3O4S.
The molecular weight is 393.5 g/mol.
The IUPAC name is [4-[[4-(dimethylamino)phenyl]iminomethyl]phenyl]-trimethylazanium;methyl sulfate.
The InChI is InChI=1S/C18H24N3.CH4O4S/c1-20(2)17-10-8-16(9-11-17)19-14-15-6-12-18(13-7-15)21(3,4)5;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1.
The InChIKey is KOTQVWGDAGINHD-UHFFFAOYSA-M.
The canonical SMILES is CN(C)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)[N+](C)(C)C.COS(=O)(=O)[O-].
The CAS number is 94107-96-7.
The European Community (EC) number is 302-332-4.
The hydrogen bond donor count is 0.
Yes, the compound is canonicalized.