[3-(3-aminophenyl)-2-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium iodide

Systemtic Name: [3-(3-aminophenyl)-2-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium iodide Openeye Name: [3-(3-aminophenyl)-2-hydroxy-3-oxo-propyl]-trimethyl-ammonium iodide CAS Name: [3-(3-aminophenyl)-2-hydroxy-3-oxopropyl]-trimethylammonium iodide IUPAC Name: [3-(3-aminophenyl)-2-hydroxy-3-oxopropyl]-trimethylazanium iodide Traditional Name: [3-(3-aminophenyl)-2-hydroxy-3-keto-propyl]-trimethyl-ammonium iodide Formula: C12H19IN2O2 MolecularWeight: 350.19593

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(=O)C1=CC(=CC=C1)N)O.[I-]

Isomeric SMILES

C[N+](C)(C)CC(C(=O)C1=CC(=CC=C1)N)O.[I-]

InChI

InChI=1S/C12H19N2O2.HI/c1-14(2,3)8-11(15)12(16)9-5-4-6-10(13)7-9;/h4-7,11,15H,8,13H2,1-3H3;1H/q+1;/p-1