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PZ5

Summary
Name:5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine
Formula:C26 H26 N3
Formal charge:1
Formula weight:380.505 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.45-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C26H25N3/c1-2-3-4-5-9-16-29-25-18-21(28)13-15-23(25)22-14-12-20(27)17-24(22)26(29)19-10-7-6-8-11-19/h1,6-8,10-15,17-18,28H,3-5,9,16,27H2/p+1
InChIKeyInChI1.03WJXZOVZRCNSPKF-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1
SMILESCACTVS3.385Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.4C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
SMILESOpenEye OEToolkits2.0.4C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N

222415

数据于2024-07-10公开中

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