J2P

(3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium

Created:2016-12-16
Last modified:  2017-05-24

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Chemical Details

Formal Charge1
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count12
2D diagram of J2P

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Chemical Component Summary

Name(3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium
Systematic Name (OpenEye OEToolkits)(3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium
FormulaC15 H17 Cl N
Molecular Weight246.755
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2
SMILESOpenEye OEToolkits2.0.6CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2
Canonical SMILESCACTVS3.385 CC[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.6 CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2
InChIInChI1.03 InChI=1S/C15H16ClN/c1-2-17-11-12-8-9-14(15(16)10-12)13-6-4-3-5-7-13/h3-10,17H,2,11H2,1H3/p+1
InChIKeyInChI1.03 CUAIXKURSOOKBM-UHFFFAOYSA-O

Related Resource References

Resource NameReference
PubChem 137349576