methyl 4-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-1-piperidin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ketopiperidin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C15H19N2O4+ MolecularWeight: 291.32236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(=O)CC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(=O)CC2

InChI

InChI=1S/C15H18N2O4/c1-21-15(20)11-2-4-12(5-3-11)16-14(19)10-17-8-6-13(18)7-9-17/h2-5H,6-10H2,1H3,(H,16,19)/p+1