IR-786 perchlorate - Alfa Chemistry

The molecular formula of IR-786 perchlorate is C32H36Cl2N2O4.

The molecular weight of IR-786 perchlorate is 583.5 g/mol.

Some synonyms for IR-786 perchlorate include AKOS000813928 and CS-0435250.

The IUPAC name of IR-786 perchlorate is (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;perchlorate.

The Canonical SMILES representation of IR-786 perchlorate is CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[O-]Cl(=O)(=O)=O.

IR-786 perchlorate has 5 hydrogen bond acceptor counts.

The topological polar surface area of IR-786 perchlorate is 80.5 Ų.

IR-786 perchlorate has 3 defined bond stereocenter counts.

Yes, IR-786 perchlorate is a canonicalized compound according to PubChem.