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2-cyanoethyl-ethyl-phenyl-azanium ethanoate

2-cyanoethyl-ethyl-phenyl-azanium ethanoate

Systemtic Name:2-cyanoethyl-ethyl-phenyl-azanium ethanoate
Openeye Name:2-cyanoethyl-ethyl-phenyl-ammonium acetate
CAS Name:2-cyanoethyl-ethyl-phenylammonium acetate
IUPAC Name:2-cyanoethyl-ethyl-phenylazanium acetate
Traditional Name:2-cyanoethyl-ethyl-phenyl-ammonium acetate
Formula: C13H18N2O2
MolecularWeight: 234.29422
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC#N)C1=CC=CC=C1.CC(=O)[O-]


Isomeric SMILES

CC[NH+](CCC#N)C1=CC=CC=C1.CC(=O)[O-]


InChI

InChI=1S/C11H14N2.C2H4O2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11;1-2(3)4/h3-5,7-8H,2,6,10H2,1H3;1H3,(H,3,4)


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