dimethyl-[3-(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium iodide

Systemtic Name: dimethyl-[3-(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium iodide Openeye Name: [2-hydroxy-3-(2-methyl-4-oxo-3-phenyl-chromen-7-yl)oxy-propyl]-isopropyl-dimethyl-ammonium iodide CAS Name: [2-hydroxy-3-[(2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl)oxy]propyl]-dimethyl-propan-2-ylammonium iodide IUPAC Name: [2-hydroxy-3-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropyl]-dimethyl-propan-2-ylazanium iodide Traditional Name: [2-hydroxy-3-(4-keto-2-methyl-3-phenyl-chromen-7-yl)oxy-propyl]-isopropyl-dimethyl-ammonium iodide Formula: C24H30INO4 MolecularWeight: 523.40377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(C[N+](C)(C)C(C)C)O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(C[N+](C)(C)C(C)C)O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C24H30NO4.HI/c1-16(2)25(4,5)14-19(26)15-28-20-11-12-21-22(13-20)29-17(3)23(24(21)27)18-9-7-6-8-10-18;/h6-13,16,19,26H,14-15H2,1-5H3;1H/q+1;/p-1