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

Systemtic Name: 2-bromanyl-4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-6-methoxy-phenolate Openeye Name: 2-bromo-4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-6-methoxy-phenolate CAS Name: 2-bromo-4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-6-methoxyphenolate IUPAC Name: 2-bromo-4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-6-methoxyphenolate Traditional Name: 2-bromo-4-(4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-6-methoxy-phenolate Formula: C26H24BrNO3 MolecularWeight: 478.37766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C([NH2+]C3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)Br)[O-])OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C([NH2+]C3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)Br)[O-])OC)C(=O)C1)C

InChI

InChI=1S/C26H24BrNO3/c1-26(2)12-17-22-16-7-5-4-6-14(16)8-9-19(22)28-24(23(17)20(29)13-26)15-10-18(27)25(30)21(11-15)31-3/h4-11,24,28,30H,12-13H2,1-3H3