Chem
J-GLOBAL ID：200907041009466116   Nikkaji number：J1.954.843K

N-Ethyl-N-[6-(diethylamino)-9-[2-[4-(chloroacetyl)piperazinocarbonyl]phenyl]-3H-xanthene-3-ylidene]ethanaminium

9-{2-[4-(2-クロロアセチル)ピペラジン-1-カルボニル]フェニル}-6-(ジエチルアミノ)-N,N-ジエチル-3H-キサンテン-3-イミニウム
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： C34H40ClN3[N+]O3
Molecular formula furigana： C34-H40-CL-N4-O3
Molecular weight： 588.170
InChI： InChI=1S/C34H40ClN4O3/c1-5-36(6-2)24-13-15-28-30(21-24)42-31-22-25(37(7-3)8-4)14-16-29(31)33(28)26-11-9-10-12-27(26)34(41)39-19-17-38(18-20-39)32(40)23-35/h9-16,21-22H,5-8,17-20,23H2,1-4H3/q+1
InChI key： RNVNOIWGLCZJSK-UHFFFAOYSA-N
SMILES： CCN(CC)c1ccc2c(c3ccccc3C(=O)N3CCN(CC3)C(=O)CCl)c3ccc(=[N+](CC)CC)cc3oc2c1
Systematic name  (3)：
  • N-エチル-N-[6-(ジエチルアミノ)-9-[2-[4-(クロロアセチル)ピペラジノカルボニル]フェニル]-3H-キサンテン-3-イリデン]エタンアミニウム
  • 9-{2-[4-(2-クロロアセチル)ピペラジン-1-カルボニル]フェニル}-6-(ジエチルアミノ)-N,N-ジエチル-3H-キサンテン-3-イミニウム
  • 9-{2-[4-(2-chloroacetyl)piperazine-1-carbonyl]phenyl}-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium
Other name (1)：
  • N-Ethyl-N-[6-(diethylamino)-9-[2-[4-(chloroacetyl)piperazinocarbonyl]phenyl]-3H-xanthene-3-ylidene]ethanaminium
Thsaurus map：
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