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2-Acetoxy-3-carboxy-N,N-dimethyl-N-(¹¹C)methyl-1-propanaminium

ChemSpider ID: 396648
Molecular Formula: C₈¹¹CH₁₈NO₄
Average mass: 203.243698 Da
Monoisotopic mass: 203.13446 Da
Systematic name

2-Acetoxy-3-carboxy-N,N-dimethyl-N-(¹¹C)methyl-1-propanaminium
SMILES and InChIs

SMILES:

CC(=O)OC(CC(=O)O)C[N+](C)(C)C Copied

Std. InChI:

InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/i2-1 Copied

Std. InChIKey:

RDHQFKQIGNGIED-JVVVGQRLSA-O Copied
Cite this record
CSID:396648, http://www.chemspider.com/Chemical-Structure.396648.html (accessed 09:17, May 21, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

MOLI000768 [DBID]

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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