trimethyl-[(E)-[1-methyl-5-(2-oxidanyl-2-phenyl-ethanoyl)pyrrol-2-yl]methylideneamino]azanium iodide

Systemtic Name: trimethyl-[(E)-[1-methyl-5-(2-oxidanyl-2-phenyl-ethanoyl)pyrrol-2-yl]methylideneamino]azanium iodide Openeye Name: [(E)-[5-(2-hydroxy-2-phenyl-acetyl)-1-methyl-pyrrol-2-yl]methyleneamino]-trimethyl-ammonium iodide CAS Name: [(E)-[5-(2-hydroxy-1-oxo-2-phenylethyl)-1-methyl-2-pyrrolyl]methylideneamino]-trimethylammonium iodide IUPAC Name: [(E)-[5-(2-hydroxy-2-phenylacetyl)-1-methylpyrrol-2-yl]methylideneamino]-trimethylazanium iodide Traditional Name: [(E)-(5-mandeloyl-1-methyl-pyrrol-2-yl)methyleneamino]-trimethyl-ammonium iodide Formula: C17H22IN3O2 MolecularWeight: 427.27995

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C(C2=CC=CC=C2)O)C=N[N+](C)(C)C.[I-]

Isomeric SMILES

CN1C(=CC=C1C(=O)C(C2=CC=CC=C2)O)/C=N/[N+](C)(C)C.[I-]

InChI

InChI=1S/C17H22N3O2.HI/c1-19-14(12-18-20(2,3)4)10-11-15(19)17(22)16(21)13-8-6-5-7-9-13;/h5-12,16,21H,1-4H3;1H/q+1;/p-1/b18-12+;