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

Systemtic Name: ethyl 3-cyclohexyl-4-ethyl-5-[2-(furan-2-ylcarbonylamino)-1-(5-methylpiperidin-2-yl)piperidin-1-ium-1-yl]furan-2-carboxylate Openeye Name: ethyl 3-cyclohexyl-4-ethyl-5-[2-(furan-2-carbonylamino)-1-(5-methyl-2-piperidyl)piperidin-1-ium-1-yl]furan-2-carboxylate CAS Name: 3-cyclohexyl-4-ethyl-5-[2-[[2-furanyl(oxo)methyl]amino]-1-(5-methyl-2-piperidinyl)-1-piperidin-1-iumyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyclohexyl-4-ethyl-5-[2-(furan-2-carbonylamino)-1-(5-methylpiperidin-2-yl)piperidin-1-ium-1-yl]furan-2-carboxylate Traditional Name: 3-cyclohexyl-4-ethyl-5-[2-(2-furoylamino)-1-(5-methyl-2-piperidyl)piperidin-1-ium-1-yl]furan-2-carboxylic acid ethyl ester Formula: C31H46N3O5+ MolecularWeight: 540.71404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C1C2CCCCC2)C(=O)OCC)[N+]3(CCCCC3NC(=O)C4=CC=CO4)C5CCC(CN5)C

Isomeric SMILES

CCC1=C(OC(=C1C2CCCCC2)C(=O)OCC)[N+]3(CCCCC3NC(=O)C4=CC=CO4)C5CCC(CN5)C

InChI

InChI=1S/C31H45N3O5/c1-4-23-27(22-12-7-6-8-13-22)28(31(36)37-5-2)39-30(23)34(25-17-16-21(3)20-32-25)18-10-9-15-26(34)33-29(35)24-14-11-19-38-24/h11,14,19,21-22,25-26,32H,4-10,12-13,15-18,20H2,1-3H3/p+1