cyclohexyl 2-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butanoate

Systemtic Name: cyclohexyl 2-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butanoate Openeye Name: cyclohexyl 2-(furan-2-carbonylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-2-[1-(5-methyl-2-pyridinyl)-1-piperidin-1-iumyl]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(furan-2-carbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butanoate Traditional Name: 2-(2-furoylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]butyric acid cyclohexyl ester Formula: C26H36N3O4+ MolecularWeight: 454.58174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CCCCC1)(NC(=O)C2=CC=CO2)[N+]3(CCCCC3)C4=NC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)OC1CCCCC1)(NC(=O)C2=CC=CO2)[N+]3(CCCCC3)C4=NC=C(C=C4)C

InChI

InChI=1S/C26H35N3O4/c1-3-26(28-24(30)22-13-10-18-32-22,25(31)33-21-11-6-4-7-12-21)29(16-8-5-9-17-29)23-15-14-20(2)19-27-23/h10,13-15,18-19,21H,3-9,11-12,16-17H2,1-2H3/p+1