4YD

(2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium

Created:2015-06-24
Last modified:  2015-08-12

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Chemical Details

Formal Charge1
Atom Count37
Chiral Atom Count1
Bond Count38
Aromatic Bond Count0
2D diagram of 4YD

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Chemical Component Summary

Name(2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium
Systematic Name (OpenEye OEToolkits)2-[(3R)-3-methylpiperazin-4-ium-1-yl]-1-pyrrolidin-1-yl-ethanone
FormulaC11 H22 N3 O
Molecular Weight212.312
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC1[NH2+]CCN(C1)CC(=O)N2CCCC2
SMILESCACTVS3.385C[CH]1CN(CC[NH2+]1)CC(=O)N2CCCC2
SMILESOpenEye OEToolkits1.9.2CC1CN(CC[NH2+]1)CC(=O)N2CCCC2
Canonical SMILESCACTVS3.385 C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2
Canonical SMILESOpenEye OEToolkits1.9.2 C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2
InChIInChI1.03 InChI=1S/C11H21N3O/c1-10-8-13(7-4-12-10)9-11(15)14-5-2-3-6-14/h10,12H,2-9H2,1H3/p+1/t10-/m1/s1
InChIKeyInChI1.03 FZALEHHAYIXXFT-SNVBAGLBSA-O

Related Resource References

Resource NameReference
PubChem 91826687