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

Systemtic Name: cyclohexyl 2-ethyl-3-(furan-2-ylcarbonylamino)-2-[1-(4-methylphenyl)piperidin-1-ium-1-yl]butanoate Openeye Name: cyclohexyl 2-ethyl-3-(furan-2-carbonylamino)-2-[1-(p-tolyl)piperidin-1-ium-1-yl]butanoate CAS Name: 2-ethyl-3-[[2-furanyl(oxo)methyl]amino]-2-[1-(4-methylphenyl)-1-piperidin-1-iumyl]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-ethyl-3-(furan-2-carbonylamino)-2-[1-(4-methylphenyl)piperidin-1-ium-1-yl]butanoate Traditional Name: 2-ethyl-3-(2-furoylamino)-2-[1-(p-tolyl)piperidin-1-ium-1-yl]butyric acid cyclohexyl ester Formula: C29H41N2O4+ MolecularWeight: 481.64684

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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=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4/c1-4-29(28(33)35-25-12-7-5-8-13-25,23(3)30-27(32)26-14-11-21-34-26)31(19-9-6-10-20-31)24-17-15-22(2)16-18-24/h11,14-18,21,23,25H,4-10,12-13,19-20H2,1-3H3/p+1