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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)(C(=O)O)C(C)(NC(=O)C2=CC=CO2)[N+]3(CCCCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C1CCCCC1)(C(=O)O)C(C)(NC(=O)C2=CC=CO2)[N+]3(CCCCC3)C4=CC=C(C=C4)C

InChI

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