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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > n-methylcanadium (iodide)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > n-methylcanadium (iodide)

Preferred term

n-methylcanadium (iodide)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H24NO4.I

inchi

  • InChI=1S/C21H24NO4.HI/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22;/h4-5,9-10,17H,6-8,11-12H2,1-3H3;1H/q+1;/p-1

inchikey

  • AZXUCIMPDKYWNT-UHFFFAOYSA-M

mass

  • 481.330

monoisotopicmass

  • 481.07500

smiles

  • [I-].O1C2=C(C=C3CC[N+]4(C(C3=C2)CC=5C=CC(=C(C5C4)OC)OC)C)OC1

subset

  • 2_STAR

synonym EXACT

  • (1S)-16,17-dimethoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene.iodide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201857

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