Chem
J-GLOBAL ID:200907002220438379
Nikkaji number:J2.215.304H
2-Methyl-2-(cyanomethyl)-4-phenyl-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolinium
2-メチル-2-(シアノメチル)-4-フェニル-8-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:
C19 H21 N[N+]O2
Molecular formula furigana:
C19-H21-N2-O2
Molecular weight:
309.388
InChI:
InChI=1S/C19H20N2O2/c1-21(11-10-20)12-16(14-6-4-3-5-7-14)15-8-9-18(23-2)19(22)17(15)13-21/h3-9,16H,11-13H2,1-2H3/p+1
InChI key:
VXCFLQFTHVQHAH-UHFFFAOYSA-O
SMILES:
COc1ccc2C(C[N+](C)(CC#N)Cc2c1O)c1ccccc1
Systematic name (3):
2-メチル-2-(シアノメチル)-4-フェニル-8-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)-8-ヒドロキシ-7-メトキシ-2-メチル-4-フェニル-1,2,3,4-テトラヒドロイソキノリン-2-イウム
2-(cyanomethyl)-8-hydroxy-7-methoxy-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Other name (1):
2-Methyl-2-(cyanomethyl)-4-phenyl-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolinium
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