2-[4-[4-(6-chloranylpyridin-3-yl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(6-chloranylpyridin-3-yl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(6-chloro-3-pyridyl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(6-chloro-3-pyridinyl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(6-chloropyridin-3-yl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(6-chloro-3-pyridyl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindoline-1,3-quinone Formula: C21H20ClN4O2+ MolecularWeight: 395.8621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN1)C2=CN=C(C=C2)Cl)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=[N+](C(=CN1)C2=CN=C(C=C2)Cl)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19ClN4O2/c1-14-23-13-18(15-8-9-19(22)24-12-15)25(14)10-4-5-11-26-20(27)16-6-2-3-7-17(16)21(26)28/h2-3,6-9,12-13H,4-5,10-11H2,1H3/p+1