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

Systemtic Name: 2-bromanyl-6-methoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate Openeye Name: 2-bromo-6-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate CAS Name: 2-bromo-6-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate IUPAC Name: 2-bromo-6-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate Traditional Name: 2-bromo-4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)-6-methoxy-phenolate Formula: C24H20BrNO3 MolecularWeight: 450.3245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrNO3/c1-29-20-12-14(11-17(25)24(20)28)23-22-16(7-4-8-19(22)27)21-15-6-3-2-5-13(15)9-10-18(21)26-23/h2-3,5-6,9-12,23,26,28H,4,7-8H2,1H3