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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)(C(=O)O)[N+]2(CCCCC2NC(=O)C3=CC=CO3)C4=NC=C(C=C4)C

Isomeric SMILES

CCC(C1CCCCC1)(C(=O)O)[N+]2(CCCCC2NC(=O)C3=CC=CO3)C4=NC=C(C=C4)C

InChI

InChI=1S/C26H35N3O4/c1-3-26(25(31)32,20-10-5-4-6-11-20)29(22-15-14-19(2)18-27-22)16-8-7-13-23(29)28-24(30)21-12-9-17-33-21/h9,12,14-15,17-18,20,23H,3-8,10-11,13,16H2,1-2H3,(H-,28,30,31,32)/p+1