2-(13-isoquinolin-2-ium-2-yltridecyl)isoquinolin-2-ium diiodide

Systemtic Name: 2-(13-isoquinolin-2-ium-2-yltridecyl)isoquinolin-2-ium diiodide Openeye Name: 2-(13-isoquinolin-2-ium-2-yltridecyl)isoquinolin-2-ium diiodide CAS Name: 2-[13-(2-isoquinolin-2-iumyl)tridecyl]isoquinolin-2-ium diiodide IUPAC Name: 2-(13-isoquinolin-2-ium-2-yltridecyl)isoquinolin-2-ium diiodide Traditional Name: 2-(13-isoquinolin-2-ium-2-yltridecyl)isoquinolin-2-ium diiodide Formula: C31H40I2N2 MolecularWeight: 694.47164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[I-].[I-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[I-].[I-]

InChI

InChI=1S/C31H40N2.2HI/c1(2-4-6-8-14-22-32-24-20-28-16-10-12-18-30(28)26-32)3-5-7-9-15-23-33-25-21-29-17-11-13-19-31(29)27-33;;/h10-13,16-21,24-27H,1-9,14-15,22-23H2;2*1H/q+2;;/p-2