bis[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]azanium

Systemtic Name: bis[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]azanium Openeye Name: bis[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]ammonium CAS Name: bis[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]ammonium IUPAC Name: bis[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]azanium Traditional Name: bis[2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl]ammonium Formula: C28H22N3O4+ MolecularWeight: 464.49198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC[NH2+]CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC[NH2+]CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C28H21N3O4/c32-25-19-9-1-5-17-6-2-10-20(23(17)19)26(33)30(25)15-13-29-14-16-31-27(34)21-11-3-7-18-8-4-12-22(24(18)21)28(31)35/h1-12,29H,13-16H2/p+1