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2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name:2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate
Openeye Name:2-[(2R)-1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate
CAS Name:2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate
IUPAC Name:2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate
Traditional Name:2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]acetate
Formula: C12H16N2O4
MolecularWeight: 252.26644
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)[O-]


Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)[O-]


InChI

InChI=1S/C12H16N2O4/c1-8-2-3-9(18-8)7-14-5-4-13-12(17)10(14)6-11(15)16/h2-3,10H,4-7H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1


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