12-methyl-2-propan-2-yloxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-3-ol

Systemtic Name: 12-methyl-2-propan-2-yloxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-3-ol Openeye Name: 2-isopropoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-3-ol CAS Name: 12-methyl-2-propan-2-yloxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-3-ol IUPAC Name: 12-methyl-2-propan-2-yloxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-3-ol Traditional Name: 2-isopropoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-3-ol Formula: C22H20NO4+ MolecularWeight: 362.3985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2C3=C(C4=CC5=C(C=C4C=C3)OCO5)[N+](=CC2=C1)C)O

Isomeric SMILES

CC(C)OC1=C(C=C2C3=C(C4=CC5=C(C=C4C=C3)OCO5)[N+](=CC2=C1)C)O

InChI

InChI=1S/C22H19NO4/c1-12(2)27-19-7-14-10-23(3)22-15(16(14)8-18(19)24)5-4-13-6-20-21(9-17(13)22)26-11-25-20/h4-10,12H,11H2,1-3H3/p+1