8-(3-methylthiophen-2-yl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one

Systemtic Name: 8-(3-methylthiophen-2-yl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Openeye Name: 8-(3-methyl-2-thienyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one CAS Name: 8-(3-methyl-2-thiophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one IUPAC Name: 8-(3-methylthiophen-2-yl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Traditional Name: 8-(3-methyl-2-thienyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Formula: C27H23N2OS+ MolecularWeight: 423.54932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)C5=C(N2)C=CC6=C5C=CC=[NH+]6

Isomeric SMILES

CC1=C(SC=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)C5=C(N2)C=CC6=C5C=CC=[NH+]6

InChI

InChI=1S/C27H22N2OS/c1-16-11-13-31-27(16)26-25-20(14-18(15-23(25)30)17-6-3-2-4-7-17)24-19-8-5-12-28-21(19)9-10-22(24)29-26/h2-13,18,26,29H,14-15H2,1H3/p+1