[2-(8-methoxy-2-oxidanylidene-1H-quinolin-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl-trimethyl-azanium iodide trihydrate

Systemtic Name: [2-(8-methoxy-2-oxidanylidene-1H-quinolin-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl-trimethyl-azanium iodide trihydrate Openeye Name: [2-(8-methoxy-2-oxo-1H-quinolin-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl-trimethyl-ammonium iodide trihydrate CAS Name: [2-(8-methoxy-2-oxo-1H-quinolin-5-yl)-3-imidazo[1,2-a]pyridinyl]methyl-trimethylammonium iodide trihydrate IUPAC Name: [2-(8-methoxy-2-oxo-1H-quinolin-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl-trimethylazanium iodide trihydrate Traditional Name: [2-(2-keto-8-methoxy-1H-quinolin-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl-trimethyl-ammonium iodide trihydrate Formula: C21H29IN4O5 MolecularWeight: 544.38323

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(N=C2N1C=CC=C2)C3=C4C=CC(=O)NC4=C(C=C3)OC.O.O.O.[I-]

Isomeric SMILES

C[N+](C)(C)CC1=C(N=C2N1C=CC=C2)C3=C4C=CC(=O)NC4=C(C=C3)OC.O.O.O.[I-]

InChI

InChI=1S/C21H22N4O2.HI.3H2O/c1-25(2,3)13-16-20(22-18-7-5-6-12-24(16)18)14-8-10-17(27-4)21-15(14)9-11-19(26)23-21;;;;/h5-12H,13H2,1-4H3;1H;3*1H2