2-[2-(2-isoquinolin-2-ium-2-ylethylperoxy)ethoxy]ethyl 2-isoquinolin-2-ium-2-ylethanoate

Systemtic Name: 2-[2-(2-isoquinolin-2-ium-2-ylethylperoxy)ethoxy]ethyl 2-isoquinolin-2-ium-2-ylethanoate Openeye Name: 2-[2-(2-isoquinolin-2-ium-2-ylethylperoxy)ethoxy]ethyl 2-isoquinolin-2-ium-2-ylacetate CAS Name: 2-(2-isoquinolin-2-iumyl)acetic acid 2-[2-[2-(2-isoquinolin-2-iumyl)ethyldioxy]ethoxy]ethyl ester IUPAC Name: 2-[2-(2-isoquinolin-2-ium-2-ylethylperoxy)ethoxy]ethyl 2-isoquinolin-2-ium-2-ylacetate Traditional Name: 2-isoquinolin-2-ium-2-ylacetic acid 2-[2-(2-isoquinolin-2-ium-2-ylethylperoxy)ethoxy]ethyl ester Formula: C26H28N2O5+2 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCOOCCOCCOC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCOOCCOCCOC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N2O5/c29-26(21-28-12-10-23-6-2-4-8-25(23)20-28)31-17-15-30-16-18-33-32-14-13-27-11-9-22-5-1-3-7-24(22)19-27/h1-12,19-20H,13-18,21H2/q+2