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

Systemtic Name: trimethyl-[3-(3-nitrophenyl)-2-oxidanyl-3-oxidanylidene-propyl]azanium Openeye Name: [2-hydroxy-3-(3-nitrophenyl)-3-oxo-propyl]-trimethyl-ammonium CAS Name: [2-hydroxy-3-(3-nitrophenyl)-3-oxopropyl]-trimethylammonium IUPAC Name: [2-hydroxy-3-(3-nitrophenyl)-3-oxopropyl]-trimethylazanium Traditional Name: [2-hydroxy-3-keto-3-(3-nitrophenyl)propyl]-trimethyl-ammonium Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O4/c1-14(2,3)8-11(15)12(16)9-5-4-6-10(7-9)13(17)18/h4-7,11,15H,8H2,1-3H3/q+1