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Summary
Name:(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM
Synonyms:CIS FORM OF TAMOXIFEN
Formula:C26 H30 N O
Formal charge:1
Formula weight:372.523 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium
OpenEye OEToolkits1.5.02-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccc(cc1)\C(c2ccccc2)=C(\c3ccccc3)CC)CC[NH+](C)C
SMILES_CANONICALCACTVS3.341CC\C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCC[NH+](C)C)cc3
SMILESCACTVS3.341CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCC[NH+](C)C)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3
SMILESOpenEye OEToolkits1.5.0CCC(=C(c1ccccc1)c2ccc(cc2)OCC[NH+](C)C)c3ccccc3
InChIInChI1.03InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+
InChIKeyInChI1.03NKANXQFJJICGDU-OCEACIFDSA-O

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數據於2024-07-10公開中

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