CHEBI:64364 - sumatriptan(1+)

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ChEBI Name sumatriptan(1+) ChEBI ID CHEBI:64364 Definition An organic cation obtained by protonation of the tertiary amino function of sumatriptan. 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 C14H22N3O2S Net Charge +1 Average Mass 296.40800 Monoisotopic Mass 296.14272 InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/p+1 InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-O SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1 ChEBI Ontology Outgoing sumatriptan(1+) (CHEBI:64364) is a ammonium ion derivative (CHEBI:35274) sumatriptan(1+) (CHEBI:64364) is a organic cation (CHEBI:25697) sumatriptan(1+) (CHEBI:64364) is conjugate base of sumatriptan (CHEBI:10650) Incoming sumatriptan succinate (CHEBI:64359) has part sumatriptan(1+) (CHEBI:64364) sumatriptan (CHEBI:10650) is conjugate acid of sumatriptan(1+) (CHEBI:64364) IUPAC Name N,N-dimethyl-2-{5-[(methylsulfamoyl)methyl]-1H-indol-3-yl}ethanaminium Synonym Source sumatriptan cation ChEBI Last Modified 11 April 2012