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2-(2-hydroxyethyl)-2-methyl-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid

2-(2-hydroxyethyl)-2-methyl-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid

Systemtic Name:2-(2-hydroxyethyl)-2-methyl-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid
Openeye Name:2-(2-hydroxyethyl)-2-methyl-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid
CAS Name:2-(2-hydroxyethyl)-2-methyl-3-oxaziridin-2-iumone; 3-phenylpropanoic acid
IUPAC Name:2-(2-hydroxyethyl)-2-methyloxaziridin-2-ium-3-one; 3-phenylpropanoic acid
Traditional Name:hydrocinnamic acid; 2-(2-hydroxyethyl)-2-methyl-oxaziridin-2-ium-3-one
Formula: C13H18NO5+
MolecularWeight: 268.28572
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)O1)CCO.C1=CC=C(C=C1)CCC(=O)O


Isomeric SMILES

C[N+]1(C(=O)O1)CCO.C1=CC=C(C=C1)CCC(=O)O


InChI

InChI=1S/C9H10O2.C4H8NO3/c10-9(11)7-6-8-4-2-1-3-5-8;1-5(2-3-6)4(7)8-5/h1-5H,6-7H2,(H,10,11);6H,2-3H2,1H3/q;+1


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