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EYB

Summary
Name:[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium
Formula:C19 H20 N3 O
Formal charge:1
Formula weight:306.382 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H19N3O/c1-3-22-18-7-4-13(10-20-2)8-17(18)16-6-5-14(9-19(16)22)15-11-21-23-12-15/h4-9,11-12,20H,3,10H2,1-2H3/p+1
InChIKeyInChI1.03VHUKHTBOFRYGOK-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4
SMILESCACTVS3.385CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4
SMILES_CANONICALOpenEye OEToolkits2.0.6CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C
SMILESOpenEye OEToolkits2.0.6CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C

217705

數據於2024-03-27公開中

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