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ET

Summary
Name:ETHIDIUM
Formula:C21 H20 N3
Formal charge:1
Formula weight:314.404 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,8-diamino-5-ethyl-6-phenylphenanthridinium
OpenEye OEToolkits1.5.05-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N
SMILES_CANONICALCACTVS3.341CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILESCACTVS3.341CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
SMILESOpenEye OEToolkits1.5.0CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
InChIInChI1.03InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
InChIKeyInChI1.03QTANTQQOYSUMLC-UHFFFAOYSA-O

217157

PDB entries from 2024-03-13

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