12-pyridin-1-ium-3-yl-9,10,11a,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-4-ium-11-one

Systemtic Name: 12-pyridin-1-ium-3-yl-9,10,11a,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-4-ium-11-one Openeye Name: 12-pyridin-1-ium-3-yl-9,10,11a,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-4-ium-11-one CAS Name: 12-(3-pyridin-1-iumyl)-9,10,11a,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-4-ium-11-one IUPAC Name: 12-pyridin-1-ium-3-yl-9,10,11a,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-4-ium-11-one Traditional Name: 12-pyridin-1-ium-3-yl-9,10,11a,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-4-ium-11-one Formula: C21H19N3O+2 MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2C(C3=C(C=CC4=C3C=CC=[NH+]4)NC2=C1)C5=C[NH+]=CC=C5

Isomeric SMILES

C1CC(=O)C2C(C3=C(C=CC4=C3C=CC=[NH+]4)NC2=C1)C5=C[NH+]=CC=C5

InChI

InChI=1S/C21H17N3O/c25-18-7-1-6-16-21(18)19(13-4-2-10-22-12-13)20-14-5-3-11-23-15(14)8-9-17(20)24-16/h2-6,8-12,19,21,24H,1,7H2/p+2