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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-3-27(28-25(30)24-13-10-20-32-24,26(31)33-23-11-6-4-7-12-23)29(18-8-5-9-19-29)22-16-14-21(2)15-17-22/h10,13-17,20,23H,3-9,11-12,18-19H2,1-2H3/p+1