CHEBI:145731 - (S)-methcathinone(1+)

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ChEBI Name (S)-methcathinone(1+)
ChEBI ID CHEBI:145731
ChEBI ASCII Name (S)-methcathinone(1+)
Definition An ammonium ion derivative that is the conjugate acid of (S)-methcathinone obtained from the protonation of the amino group. It is the major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C10H14NO
Net Charge +1
Average Mass 164.227
Monoisotopic Mass 164.10699
InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/p+1/t8-/m0/s1
InChIKey LPLLVINFLBSFRP-QMMMGPOBSA-O
SMILES C=1C=C(C=CC1)C([C@@H]([NH2+]C)C)=O
ChEBI Ontology
Outgoing (S)-methcathinone(1+) (CHEBI:145731) is a ammonium ion derivative (CHEBI:35274)
(S)-methcathinone(1+) (CHEBI:145731) is conjugate acid of (S)-methcathinone (CHEBI:145808)
(S)-methcathinone(1+) (CHEBI:145731) is enantiomer of (R)-methcathinone(1+) (CHEBI:149676)
Incoming (S)-methcathinone (CHEBI:145808) is conjugate base of (S)-methcathinone(1+) (CHEBI:145731)
(R)-methcathinone(1+) (CHEBI:149676) is enantiomer of (S)-methcathinone(1+) (CHEBI:145731)
IUPAC Name
(2S)-N-methyl-1-oxo-1-phenylpropan-2-aminium
Synonyms Sources
(S)-2-methylamino-1-phenylpropan-1-one UniProt
(S)-N-methyl-1-oxo-1-phenylpropan-2-aminium ChEBI
methyl-[(2S)-1-oxo-1-phenylpropan-2-yl]azanium ChEBI
Last Modified
07 May 2020
General Comment
2020-05-07 Reported in DOI:10.1021/acscatal.9b00621 and in patent: WO 2019/002459 (ref. 20).