2-cyclohexyl-2-[2-(furan-2-ylcarbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]butanoic acid

Systemtic Name: 2-cyclohexyl-2-[2-(furan-2-ylcarbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]butanoic acid Openeye Name: 2-cyclohexyl-2-[2-(furan-2-carbonylamino)-1-(p-tolyl)piperidin-1-ium-1-yl]butanoic acid CAS Name: 2-cyclohexyl-2-[2-[[2-furanyl(oxo)methyl]amino]-1-(4-methylphenyl)-1-piperidin-1-iumyl]butanoic acid IUPAC Name: 2-cyclohexyl-2-[2-(furan-2-carbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]butanoic acid Traditional Name: 2-cyclohexyl-2-[2-(2-furoylamino)-1-(p-tolyl)piperidin-1-ium-1-yl]butyric acid Formula: C27H37N2O4+ MolecularWeight: 453.59368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-3-27(26(31)32,21-10-5-4-6-11-21)29(22-16-14-20(2)15-17-22)18-8-7-13-24(29)28-25(30)23-12-9-19-33-23/h9,12,14-17,19,21,24H,3-8,10-11,13,18H2,1-2H3,(H-,28,30,31,32)/p+1