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PRM

Summary
Name:3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM
Synonyms:PROPIDIUM
Formula:C27 H34 N4
Formal charge:2
Formula weight:414.586 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,8-diamino-5-{3-[diethyl(methyl)ammonio]propyl}-6-phenylphenanthridinium
OpenEye OEToolkits1.5.03-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)(CC)C)N
SMILES_CANONICALCACTVS3.341CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILESCACTVS3.341CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
SMILESOpenEye OEToolkits1.5.0CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
InChIInChI1.03InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1
InChIKeyInChI1.03ZDWVWKDAWBGPDN-UHFFFAOYSA-O

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數據於2024-07-17公開中

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