947-14-8 Purity
96%
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PubChem CID 73442.
The molecular formula is C21H22ClNO4.
The molecular weight is 387.9 g/mol.
The IUPAC Name is 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride.
The InChI is InChI=1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,9-12H,7-8H2,1-4H3;1H/q+1;/p-1.
The InChIKey is RLQYRXCUPVKSAW-UHFFFAOYSA-M.
The canonical SMILES is COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC).[Cl-].
The CAS number is 10605-02-4.
The hydrogen bond donor count is 0.