2-[12-(1-azanylideneisoquinolin-2-yl)dodecyl]isoquinolin-1-imine dihydrobromide

Systemtic Name: 2-[12-(1-azanylideneisoquinolin-2-yl)dodecyl]isoquinolin-1-imine dihydrobromide Openeye Name: 2-[12-(1-imino-2-isoquinolyl)dodecyl]isoquinolin-1-imine dihydrobromide CAS Name: 2-[12-(1-imino-2-isoquinolinyl)dodecyl]-1-isoquinolinimine dihydrobromide IUPAC Name: 2-[12-(1-iminoisoquinolin-2-yl)dodecyl]isoquinolin-1-imine dihydrobromide Traditional Name: [2-[12-(1-imino-2-isoquinolyl)dodecyl]-1-isoquinolylidene]amine dihydrobromide Formula: C30H40Br2N4 MolecularWeight: 616.4734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=N)CCCCCCCCCCCCN3C=CC4=CC=CC=C4C3=N.Br.Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=N)CCCCCCCCCCCCN3C=CC4=CC=CC=C4C3=N.Br.Br

InChI

InChI=1S/C30H38N4.2BrH/c31-29-27-17-11-9-15-25(27)19-23-33(29)21-13-7-5-3-1-2-4-6-8-14-22-34-24-20-26-16-10-12-18-28(26)30(34)32;;/h9-12,15-20,23-24,31-32H,1-8,13-14,21-22H2;2*1H