2-[3-(9-chloranyl-3,4-dimethyl-acridin-10-ium-10-yl)propyl]isoindole-1,3-dione chloride

Systemtic Name: 2-[3-(9-chloranyl-3,4-dimethyl-acridin-10-ium-10-yl)propyl]isoindole-1,3-dione chloride Openeye Name: 2-[3-(9-chloro-3,4-dimethyl-acridin-10-ium-10-yl)propyl]isoindoline-1,3-dione chloride CAS Name: 2-[3-(9-chloro-3,4-dimethyl-10-acridin-10-iumyl)propyl]isoindole-1,3-dione chloride IUPAC Name: 2-[3-(9-chloro-3,4-dimethylacridin-10-ium-10-yl)propyl]isoindole-1,3-dione chloride Traditional Name: 2-[3-(9-chloro-3,4-dimethyl-acridin-10-ium-10-yl)propyl]isoindoline-1,3-quinone chloride Formula: C26H22Cl2N2O2 MolecularWeight: 465.37108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3C(=C2C=C1)Cl)CCCN4C(=O)C5=CC=CC=C5C4=O)C.[Cl-]

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3C(=C2C=C1)Cl)CCCN4C(=O)C5=CC=CC=C5C4=O)C.[Cl-]

InChI

InChI=1S/C26H22ClN2O2.ClH/c1-16-12-13-21-23(27)20-10-5-6-11-22(20)28(24(21)17(16)2)14-7-15-29-25(30)18-8-3-4-9-19(18)26(29)31;/h3-6,8-13H,7,14-15H2,1-2H3;1H/q+1;/p-1