ethyl 5-[[[1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazol-4-yl]carbonylamino]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[[1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazol-4-yl]carbonylamino]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[[1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carbonyl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[oxo-[1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolyl]methyl]amino]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carbonyl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[[1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid ethyl ester Formula: C18H26N5O4+ MolecularWeight: 376.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CNC(=O)C2=CN(N=N2)CC[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CNC(=O)C2=CN(N=N2)CC[NH+]3CCCCC3

InChI

InChI=1S/C18H25N5O4/c1-2-26-18(25)16-7-6-14(27-16)12-19-17(24)15-13-23(21-20-15)11-10-22-8-4-3-5-9-22/h6-7,13H,2-5,8-12H2,1H3,(H,19,24)/p+1