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

Systemtic Name: dimethyl-[2-oxidanyl-3-(4-oxidanylidene-2-phenyl-chromen-7-yl)oxy-propyl]-propan-2-yl-azanium iodide Openeye Name: [2-hydroxy-3-(4-oxo-2-phenyl-chromen-7-yl)oxy-propyl]-isopropyl-dimethyl-ammonium iodide CAS Name: [2-hydroxy-3-[(4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]propyl]-dimethyl-propan-2-ylammonium iodide IUPAC Name: [2-hydroxy-3-(4-oxo-2-phenylchromen-7-yl)oxypropyl]-dimethyl-propan-2-ylazanium iodide Traditional Name: [2-hydroxy-3-(4-keto-2-phenyl-chromen-7-yl)oxy-propyl]-isopropyl-dimethyl-ammonium iodide Formula: C23H28INO4 MolecularWeight: 509.37719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(C)CC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)O.[I-]

Isomeric SMILES

CC(C)[N+](C)(C)CC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C23H28NO4.HI/c1-16(2)24(3,4)14-18(25)15-27-19-10-11-20-21(26)13-22(28-23(20)12-19)17-8-6-5-7-9-17;/h5-13,16,18,25H,14-15H2,1-4H3;1H/q+1;/p-1