cyclohexyl 2-ethyl-3-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butanoate

Systemtic Name: cyclohexyl 2-ethyl-3-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butanoate Openeye Name: cyclohexyl 2-ethyl-3-(furan-2-carbonylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]butanoate CAS Name: 2-ethyl-3-[[2-furanyl(oxo)methyl]amino]-2-[1-(5-methyl-2-pyridinyl)-1-piperidin-1-iumyl]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-ethyl-3-(furan-2-carbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butanoate Traditional Name: 2-ethyl-3-(2-furoylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]butyric acid cyclohexyl ester Formula: C28H40N3O4+ MolecularWeight: 482.6349

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)NC(=O)C1=CC=CO1)(C(=O)OC2CCCCC2)[N+]3(CCCCC3)C4=NC=C(C=C4)C

Isomeric SMILES

CCC(C(C)NC(=O)C1=CC=CO1)(C(=O)OC2CCCCC2)[N+]3(CCCCC3)C4=NC=C(C=C4)C

InChI

InChI=1S/C28H39N3O4/c1-4-28(27(33)35-23-12-7-5-8-13-23,22(3)30-26(32)24-14-11-19-34-24)31(17-9-6-10-18-31)25-16-15-21(2)20-29-25/h11,14-16,19-20,22-23H,4-10,12-13,17-18H2,1-3H3/p+1