2,3,8-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium iodide

Systemtic Name: 2,3,8-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium iodide Openeye Name: 2,3,8-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium iodide CAS Name: 2,3,8-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium iodide IUPAC Name: 2,3,8-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium iodide Traditional Name: 2,3,8-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium iodide Formula: C21H20INO3 MolecularWeight: 461.29287

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C3C=CC(=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C2C(=C3C=CC(=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.[I-]

InChI

InChI=1S/C21H20NO3.HI/c1-22-12-14-9-15(23-2)6-8-16(14)17-7-5-13-10-19(24-3)20(25-4)11-18(13)21(17)22;/h5-12H,1-4H3;1H/q+1;/p-1