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PSP

Summary
Name:1,3-PROPYLENE-BIS-N,N'-SYN-4-PYRIDINIUMALDOXIME
Formula:C15 H18 N4 O2
Formal charge:2
Formula weight:286.329 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,1'-propane-1,3-diylbis{4-[(E)-(hydroxyimino)methyl]pyridinium}
OpenEye OEToolkits1.5.0(NE)-N-[[1-[3-[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O\N=C\c1cc[n+](cc1)CCC[n+]2ccc(\C=N\O)cc2
SMILES_CANONICALCACTVS3.341O\N=C\c1cc[n+](CCC[n+]2ccc(cc2)\C=N\O)cc1
SMILESCACTVS3.341ON=Cc1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO
SMILESOpenEye OEToolkits1.5.0c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C=NO
InChIInChI1.03InChI=1S/C15H16N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-13H,1,6-7H2/p+2
InChIKeyInChI1.03LJYGXPCCGGSATE-UHFFFAOYSA-P

222415

数据于2024-07-10公开中

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