Chem
J-GLOBAL ID：200907003040694250
Nikkaji number：J1.804.478A
(4S)-2-Phenyl-4β-isopropyl-4,5-dihydro-6-oxa-1,3a-diaza-2-azonia-7H-indene
(4S)-2-フェニル-4β-イソプロピル-4,5-ジヒドロ-6-オキサ-1,3a-ジアザ-2-アゾニア-7H-インデン
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： C14H18N2[N+]O
Molecular formula furigana： C14-H18-N3-O
Molecular weight： 244.317
InChI：
InChI=1S/C14H18N3O/c1-11(2)13-8-18-9-14-15-17(10-16(13)14)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/q+1/t13-/m1/s1
InChI key：
WOMOXTGKYFRREW-CYBMUJFWSA-N
SMILES：
CC(C)[C@H]1COCc2n[n+](cn12)c1ccccc1
Systematic name (3)：
- (4S)-2-フェニル-4β-イソプロピル-4,5-ジヒドロ-6-オキサ-1,3a-ジアザ-2-アゾニア-7H-インデン
- (5S)-2-フェニル-5-(プロパン-2-イル)-5H,6H,8H-2λ5-[1,2,4]トリアゾロ[3,4-c][1,4]オキサジン-2-イリウム
- (5S)-2-phenyl-5-(propan-2-yl)-5H,6H,8H-2λ5-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ylium
- (4S)-2-Phenyl-4β-isopropyl-4,5-dihydro-6-oxa-1,3a-diaza-2-azonia-7H-indene
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