8-pyridin-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one

Systemtic Name: 8-pyridin-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Openeye Name: 8-(2-pyridyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one CAS Name: 8-(2-pyridinyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one IUPAC Name: 8-pyridin-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Traditional Name: 8-(2-pyridyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Formula: C21H18N3O+ MolecularWeight: 328.38712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC3=C2C4=C(C=C3)[NH+]=CC=C4)C5=CC=CC=N5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC3=C2C4=C(C=C3)[NH+]=CC=C4)C5=CC=CC=N5)C(=O)C1

InChI

InChI=1S/C21H17N3O/c25-18-8-3-5-14-19-13-6-4-12-22-15(13)9-10-16(19)24-21(20(14)18)17-7-1-2-11-23-17/h1-2,4,6-7,9-12,21,24H,3,5,8H2/p+1