2,6-dimethoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate

Systemtic Name: 2,6-dimethoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate Openeye Name: 2,6-dimethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate CAS Name: 2,6-dimethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate IUPAC Name: 2,6-dimethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate Traditional Name: 4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)-2,6-dimethoxy-phenolate Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])OC)C2C3=C(CCCC3=O)C4=C([NH2+]2)C=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC(=C1[O-])OC)C2C3=C(CCCC3=O)C4=C([NH2+]2)C=CC5=CC=CC=C54

InChI

InChI=1S/C25H23NO4/c1-29-20-12-15(13-21(30-2)25(20)28)24-23-17(8-5-9-19(23)27)22-16-7-4-3-6-14(16)10-11-18(22)26-24/h3-4,6-7,10-13,24,26,28H,5,8-9H2,1-2H3