CHEBI:64201 - carmoxirole(1+)

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ChEBI Name carmoxirole(1+) ChEBI ID CHEBI:64201 Definition An organic cation that is the conjugate acid of carmoxirole, arising from protonation of the tertiary amino group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H27N2O2 Net Charge +1 Average Mass 375.48340 Monoisotopic Mass 375.20670 InChI InChI=1S/C24H26N2O2/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28)/p+1 InChIKey AFSOIHMEOKEZJF-UHFFFAOYSA-O SMILES OC(=O)c1ccc2[nH]cc(CCCC[NH+]3CCC(=CC3)c3ccccc3)c2c1 ChEBI Ontology Outgoing carmoxirole(1+) (CHEBI:64201) is a ammonium ion derivative (CHEBI:35274) carmoxirole(1+) (CHEBI:64201) is a organic cation (CHEBI:25697) carmoxirole(1+) (CHEBI:64201) is conjugate acid of carmoxirole (CHEBI:64200) Incoming carmoxirole hydrochloride (CHEBI:64199) has part carmoxirole(1+) (CHEBI:64201) carmoxirole (CHEBI:64200) is conjugate base of carmoxirole(1+) (CHEBI:64201) IUPAC Name 1-[4-(5-carboxy-1H-indol-3-yl)butyl]-4-phenyl-1,2,3,6-tetrahydropyridinium Synonym Source carmoxirole cation ChEBI Last Modified 16 March 2012