8-(4-methylsulfanylphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one

Systemtic Name: 8-(4-methylsulfanylphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Openeye Name: 8-(4-methylsulfanylphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one CAS Name: 8-[4-(methylthio)phenyl]-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one IUPAC Name: 8-(4-methylsulfanylphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Traditional Name: 8-[4-(methylthio)phenyl]-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Formula: C29H25N2OS+ MolecularWeight: 449.5866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)C5=C(N2)C=CC6=C5C=CC=[NH+]6

Isomeric SMILES

CSC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)C5=C(N2)C=CC6=C5C=CC=[NH+]6

InChI

InChI=1S/C29H24N2OS/c1-33-21-11-9-19(10-12-21)29-28-23(16-20(17-26(28)32)18-6-3-2-4-7-18)27-22-8-5-15-30-24(22)13-14-25(27)31-29/h2-15,20,29,31H,16-17H2,1H3/p+1