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methyl 3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzoate

methyl 3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzoate

Systemtic Name:methyl 3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzoate
Openeye Name:methyl 3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzoate
CAS Name:3-[(3-oxo-1-piperazin-1-iumyl)methyl]benzoic acid methyl ester
IUPAC Name:methyl 3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzoate
Traditional Name:3-[(3-ketopiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester
Formula: C13H17N2O3+
MolecularWeight: 249.28568
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C[NH+]2CCNC(=O)C2


Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C[NH+]2CCNC(=O)C2


InChI

InChI=1S/C13H16N2O3/c1-18-13(17)11-4-2-3-10(7-11)8-15-6-5-14-12(16)9-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,16)/p+1


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