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

Systemtic Name: 2-[4-[4-(6-methoxypyridin-3-yl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(6-methoxy-3-pyridyl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(6-methoxy-3-pyridinyl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(6-methoxypyridin-3-yl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(6-methoxy-3-pyridyl)-2-methyl-1H-imidazol-3-ium-3-yl]butyl]isoindoline-1,3-quinone Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-15-23-14-19(16-9-10-20(29-2)24-13-16)25(15)11-5-6-12-26-21(27)17-7-3-4-8-18(17)22(26)28/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3/p+1