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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C2=C[N+](=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)C)O

Isomeric SMILES

CC(C)OC1=C(C2=C[N+](=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)C)O

InChI

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