Chem
J-GLOBAL ID:200907036614152839
Nikkaji number:J2.215.310B
1,2-Dimethyl-2-(cyanomethyl)-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolinium
1,2-ジメチル-2-(シアノメチル)-6-ヒドロキシ-7-メトキシ-1,2,3,4-テトラヒドロイソキノリニウム
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Substance type:
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
Molecular formula:
C14 H19 N[N+]O2
Molecular formula furigana:
C14-H19-N2-O2
Molecular weight:
247.317
InChI:
InChI=1S/C14H18N2O2/c1-10-12-9-14(18-3)13(17)8-11(12)4-6-16(10,2)7-5-15/h8-10H,4,6-7H2,1-3H3/p+1
InChI key:
TYPMJXSHMRIVCI-UHFFFAOYSA-O
SMILES:
COc1cc2C(C)[N+](C)(CC#N)CCc2cc1O
Systematic name (3):
1,2-ジメチル-2-(シアノメチル)-6-ヒドロキシ-7-メトキシ-1,2,3,4-テトラヒドロイソキノリニウム
2-(シアノメチル)-6-ヒドロキシ-7-メトキシ-1,2-ジメチル-1,2,3,4-テトラヒドロイソキノリン-2-イウム
2-(cyanomethyl)-6-hydroxy-7-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Other name (1):
1,2-Dimethyl-2-(cyanomethyl)-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolinium
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