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

Systemtic Name: 4-[[[5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[5-(1-pyrrolidin-1-iumylmethyl)-2-furanyl]methyl]amino]methyl]benzoate IUPAC Name: 4-[[[5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-furoyl]amino]methyl]benzoate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H20N2O4/c21-17(19-11-13-3-5-14(6-4-13)18(22)23)16-8-7-15(24-16)12-20-9-1-2-10-20/h3-8H,1-2,9-12H2,(H,19,21)(H,22,23)