ethyl 3-cyclohexyl-4-ethyl-5-[2-(furan-2-ylcarbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]furan-2-carboxylate

Systemtic Name: ethyl 3-cyclohexyl-4-ethyl-5-[2-(furan-2-ylcarbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]furan-2-carboxylate Openeye Name: ethyl 3-cyclohexyl-4-ethyl-5-[2-(furan-2-carbonylamino)-1-(p-tolyl)piperidin-1-ium-1-yl]furan-2-carboxylate CAS Name: 3-cyclohexyl-4-ethyl-5-[2-[[2-furanyl(oxo)methyl]amino]-1-(4-methylphenyl)-1-piperidin-1-iumyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyclohexyl-4-ethyl-5-[2-(furan-2-carbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]furan-2-carboxylate Traditional Name: 3-cyclohexyl-4-ethyl-5-[2-(2-furoylamino)-1-(p-tolyl)piperidin-1-ium-1-yl]furan-2-carboxylic acid ethyl ester Formula: C32H41N2O5+ MolecularWeight: 533.67834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C1C2CCCCC2)C(=O)OCC)[N+]3(CCCCC3NC(=O)C4=CC=CO4)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(OC(=C1C2CCCCC2)C(=O)OCC)[N+]3(CCCCC3NC(=O)C4=CC=CO4)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H40N2O5/c1-4-25-28(23-12-7-6-8-13-23)29(32(36)37-5-2)39-31(25)34(24-18-16-22(3)17-19-24)20-10-9-15-27(34)33-30(35)26-14-11-21-38-26/h11,14,16-19,21,23,27H,4-10,12-13,15,20H2,1-3H3/p+1