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3-[azepan-1-ium-1-ylmethyl(oxidanyl)phosphoryl]propanoate

3-[azepan-1-ium-1-ylmethyl(oxidanyl)phosphoryl]propanoate

Systemtic Name:3-[azepan-1-ium-1-ylmethyl(oxidanyl)phosphoryl]propanoate
Openeye Name:3-[azepan-1-ium-1-ylmethyl(hydroxy)phosphoryl]propanoate
CAS Name:3-[1-azepan-1-iumylmethyl(hydroxy)phosphoryl]propanoate
IUPAC Name:3-[azepan-1-ium-1-ylmethyl(hydroxy)phosphoryl]propanoate
Traditional Name:3-[azepan-1-ium-1-ylmethyl(hydroxy)phosphoryl]propionate
Formula: C10H20NO4P
MolecularWeight: 249.243861
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CP(=O)(CCC(=O)[O-])O


Isomeric SMILES

C1CCC[NH+](CC1)CP(=O)(CCC(=O)[O-])O


InChI

InChI=1S/C10H20NO4P/c12-10(13)5-8-16(14,15)9-11-6-3-1-2-4-7-11/h1-9H2,(H,12,13)(H,14,15)


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