2-methoxy-13-(4-methoxyphenyl)-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol

Systemtic Name: 2-methoxy-13-(4-methoxyphenyl)-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol Openeye Name: 2-methoxy-13-(4-methoxyphenyl)-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol CAS Name: 2-methoxy-13-(4-methoxyphenyl)-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol IUPAC Name: 2-methoxy-13-(4-methoxyphenyl)-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol Traditional Name: 2-methoxy-13-(4-methoxyphenyl)-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol Formula: C27H22NO5+ MolecularWeight: 440.46728

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C3C=CC(=C(C3=C1C4=CC=C(C=C4)OC)O)OC)C=CC5=CC6=C(C=C52)OCO6

Isomeric SMILES

C[N+]1=C2C(=C3C=CC(=C(C3=C1C4=CC=C(C=C4)OC)O)OC)C=CC5=CC6=C(C=C52)OCO6

InChI

InChI=1S/C27H21NO5/c1-28-25(15-4-7-17(30-2)8-5-15)24-18(10-11-21(31-3)27(24)29)19-9-6-16-12-22-23(33-14-32-22)13-20(16)26(19)28/h4-13H,14H2,1-3H3/p+1