2-[[6-bromanyl-4-(6-bromanyl-5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxol-5-yl]carbonyloxy]ethyl-trimethyl-azanium chloride

Systemtic Name: 2-[[6-bromanyl-4-(6-bromanyl-5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxol-5-yl]carbonyloxy]ethyl-trimethyl-azanium chloride Openeye Name: 2-[6-bromo-4-(6-bromo-5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carbonyl]oxyethyl-trimethyl-ammonium chloride CAS Name: 2-[[6-bromo-4-(6-bromo-5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxol-5-yl]-oxomethoxy]ethyl-trimethylammonium chloride IUPAC Name: 2-[6-bromo-4-(6-bromo-5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carbonyl]oxyethyl-trimethylazanium chloride Traditional Name: 2-[6-bromo-4-(6-bromo-5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-piperonyloyl]oxyethyl-trimethyl-ammonium chloride Formula: C23H24Br2ClNO10 MolecularWeight: 669.69836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C1=C(C2=C(C(=C1Br)OC)OCO2)C3=C(C(=C(C4=C3OCO4)OC)Br)C(=O)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C1=C(C2=C(C(=C1Br)OC)OCO2)C3=C(C(=C(C4=C3OCO4)OC)Br)C(=O)O.[Cl-]

InChI

InChI=1S/C23H23Br2NO10.ClH/c1-26(2,3)6-7-32-23(29)13-11(17-21(36-9-34-17)19(31-5)15(13)25)10-12(22(27)28)14(24)18(30-4)20-16(10)33-8-35-20;/h6-9H2,1-5H3;1H