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2-[(5S,7R)-3-(azaniumylmethyl)-1-adamantyl]ethanoate

2-[(5S,7R)-3-(azaniumylmethyl)-1-adamantyl]ethanoate

Systemtic Name:2-[(5S,7R)-3-(azaniumylmethyl)-1-adamantyl]ethanoate
Openeye Name:2-[(5S,7R)-3-(azaniumylmethyl)-1-adamantyl]acetate
CAS Name:2-[(5S,7R)-3-(ammoniomethyl)-1-adamantyl]acetate
IUPAC Name:2-[(5S,7R)-3-(azaniumylmethyl)-1-adamantyl]acetate
Traditional Name:2-[(5S,7R)-3-(ammoniomethyl)-1-adamantyl]acetate
Formula: C13H21NO2
MolecularWeight: 223.31134
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C[NH3+])CC(=O)[O-]


Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C[NH3+])CC(=O)[O-]


InChI

InChI=1S/C13H21NO2/c14-8-13-4-9-1-10(5-13)3-12(2-9,7-13)6-11(15)16/h9-10H,1-8,14H2,(H,15,16)/t9-,10+,12?,13?


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