2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium chloride trihydrate

Systemtic Name: 2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium chloride trihydrate Openeye Name: 2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium chloride trihydrate CAS Name: 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride trihydrate IUPAC Name: 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride trihydrate Traditional Name: 2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium chloride trihydrate Formula: C22H28ClNO7 MolecularWeight: 453.91322

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.O.O.O.[Cl-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.O.O.O.[Cl-]

InChI

InChI=1S/C22H22NO4.ClH.3H2O/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23;;;;/h6-12H,1-5H3;1H;3*1H2/q+1;;;;/p-1