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

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

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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=NC=C(C=C4)C

Isomeric SMILES

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

InChI

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