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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(O1)NC(=O)C2=CC=CO2)C(C)[N+]3(CCCCC3)C4CCC(CN4)C)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(C(=C(O1)NC(=O)C2=CC=CO2)C(C)[N+]3(CCCCC3)C4CCC(CN4)C)C5CCCCC5

InChI

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