4-[[[5-(piperidin-1-ium-1-ylmethyl)furan-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[5-(piperidin-1-ium-1-ylmethyl)furan-2-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[5-(piperidin-1-ium-1-ylmethyl)furan-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[5-(1-piperidin-1-iumylmethyl)-2-furanyl]methyl]amino]methyl]benzoate IUPAC Name: 4-[[[5-(piperidin-1-ium-1-ylmethyl)furan-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[5-(piperidin-1-ium-1-ylmethyl)-2-furoyl]amino]methyl]benzoate Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O4/c22-18(20-12-14-4-6-15(7-5-14)19(23)24)17-9-8-16(25-17)13-21-10-2-1-3-11-21/h4-9H,1-3,10-13H2,(H,20,22)(H,23,24)