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Concept information

Preferred term

cimetropium  

Type

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

charge

  • +1

formula

  • C21H28NO4

inchi

  • InChI=1S/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1

inchikey

  • QVVOZYKELHAIPX-WVHCHWADSA-N

mass

  • 358.452

monoisotopicmass

  • 358.20128

smiles

  • C[N+]1(CC2CC2)[C@H]3C[C@@H](C[C@@H]1[C@H]4O[C@@H]34)OC(=O)[C@H](CO)C5=CC=CC=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:135516

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