[2-oxidanylidene-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] 2-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] 2-(furan-2-ylcarbonylamino)benzoate Openeye Name: [2-oxo-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] 2-(furan-2-carbonylamino)benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-oxo-2-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] 2-(furan-2-carbonylamino)benzoate Traditional Name: 2-(2-furoylamino)benzoic acid [2-keto-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] ester Formula: C26H34N3O5+ MolecularWeight: 468.56526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C26H33N3O5/c30-23(27-19-26(13-5-1-6-14-26)29-15-7-2-8-16-29)18-34-25(32)20-10-3-4-11-21(20)28-24(31)22-12-9-17-33-22/h3-4,9-12,17H,1-2,5-8,13-16,18-19H2,(H,27,30)(H,28,31)/p+1