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DCU

Summary
Name:3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM
Synonyms:DECIDIUM
Formula:C32 H44 N4
Formal charge:2
Formula weight:484.719 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,8-diamino-6-phenyl-5-[10-(trimethylammonio)decyl]phenanthridinium
OpenEye OEToolkits1.5.010-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)decyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCCCCCCCCC[N+](C)(C)C)N
SMILES_CANONICALCACTVS3.341C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILESCACTVS3.341C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
SMILESOpenEye OEToolkits1.5.0C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
InChIInChI1.03InChI=1S/C32H43N4/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35-31-24-27(34)18-20-29(31)28-19-17-26(33)23-30(28)32(35)25-15-11-10-12-16-25/h10-12,15-20,23-24,34H,4-9,13-14,21-22,33H2,1-3H3/q+1/p+1
InChIKeyInChI1.03VMVDKYYLBXQMAD-UHFFFAOYSA-O

222624

数据于2024-07-17公开中

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