Chem
J-GLOBAL ID:200907044102417442   Nikkaji number:J2.579.675F

2-[(1R)-1-Methyl-3-cyano-2-cyclohexenyl]-4-oxylato-6-methoxyisoquinoline-2-ium

2-[(1R)-1-メチル-3-シアノ-2-シクロヘキセニル]-4-オキシラト-6-メトキシイソキノリン-2-イウム
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: C18H18N[N+]O[O-]
Molecular formula furigana: C18-H18-N2-O2
Molecular weight: 294.354
InChI: InChI=1S/C18H18N2O2/c1-18(7-3-4-13(9-18)10-19)20-11-14-5-6-15(22-2)8-16(14)17(21)12-20/h5-6,8-9,11-12H,3-4,7H2,1-2H3/t18-/m1/s1
InChI key: UDMUCPBYOTZDAH-GOSISDBHSA-N
SMILES: COc1ccc2c[n+](cc([O-])c2c1)[C@]1(C)CCCC(=C1)C#N
Systematic name  (3):
  • 2-[(1R)-1-メチル-3-シアノ-2-シクロヘキセニル]-4-オキシラト-6-メトキシイソキノリン-2-イウム
  • 2-[(1R)-3-シアノ-1-メチルシクロヘキサ-2-エン-1-イル]-6-メトキシ-2λ5-イソキノリン-2-イリウム-4-オラート
  • 2-[(1R)-3-cyano-1-methylcyclohex-2-en-1-yl]-6-methoxy-2λ5-isoquinolin-2-ylium-4-olate
Other name (1):
  • 2-[(1R)-1-Methyl-3-cyano-2-cyclohexenyl]-4-oxylato-6-methoxyisoquinoline-2-ium
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