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

Systemtic Name: cyclohexyl 2-ethyl-3-(furan-2-ylcarbonylamino)-2-[1-(4-methylphenyl)piperidin-1-ium-1-yl]heptanoate Openeye Name: cyclohexyl 2-ethyl-3-(furan-2-carbonylamino)-2-[1-(p-tolyl)piperidin-1-ium-1-yl]heptanoate CAS Name: 2-ethyl-3-[[2-furanyl(oxo)methyl]amino]-2-[1-(4-methylphenyl)-1-piperidin-1-iumyl]heptanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-ethyl-3-(furan-2-carbonylamino)-2-[1-(4-methylphenyl)piperidin-1-ium-1-yl]heptanoate Traditional Name: 2-ethyl-3-(2-furoylamino)-2-[1-(p-tolyl)piperidin-1-ium-1-yl]enanthic acid cyclohexyl ester Formula: C32H47N2O4+ MolecularWeight: 523.72658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC)(C(=O)OC1CCCCC1)[N+]2(CCCCC2)C3=CC=C(C=C3)C)NC(=O)C4=CC=CO4

Isomeric SMILES

CCCCC(C(CC)(C(=O)OC1CCCCC1)[N+]2(CCCCC2)C3=CC=C(C=C3)C)NC(=O)C4=CC=CO4

InChI

InChI=1S/C32H46N2O4/c1-4-6-17-29(33-30(35)28-16-13-24-37-28)32(5-2,31(36)38-27-14-9-7-10-15-27)34(22-11-8-12-23-34)26-20-18-25(3)19-21-26/h13,16,18-21,24,27,29H,4-12,14-15,17,22-23H2,1-3H3/p+1