Chem
J-GLOBAL ID：200907006247181634
Nikkaji number：J1.006.347G
Dimethyl[3-[[4-(2,3-dihydroxypropoxy)phenyl]amino]-3-oxopropyl]sulfonium
(2-{[4-(2,3-ジヒドロキシプロポキシ)フェニル]カルバモイル}エチル)ジメチルスルファニウム
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C14H22NO4[S+]
Molecular formula furigana： C14-H22-N-O4-S
Molecular weight： 300.390
InChI：
InChI=1S/C14H21NO4S/c1-20(2)8-7-14(18)15-11-3-5-13(6-4-11)19-10-12(17)9-16/h3-6,12,16-17H,7-10H2,1-2H3/p+1
InChI key：
AUFGXIWRQRTZQQ-UHFFFAOYSA-O
SMILES：
C[S+](C)CCC(=O)Nc1ccc(OCC(O)CO)cc1
Systematic name (3)：
- ジメチル[3-[[4-(2,3-ジヒドロキシプロポキシ)フェニル]アミノ]-3-オキソプロピル]スルホニウム
- (2-{[4-(2,3-ジヒドロキシプロポキシ)フェニル]カルバモイル}エチル)ジメチルスルファニウム
- (2-{[4-(2,3-dihydroxypropoxy)phenyl]carbamoyl}ethyl)dimethylsulfanium
- Dimethyl[3-[[4-(2,3-dihydroxypropoxy)phenyl]amino]-3-oxopropyl]sulfonium
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