1-ethyl-2-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-ethyl-2-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]cyclohexane-1-carboxylic acid Openeye Name: 1-ethyl-2-(furan-2-carbonylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]cyclohexanecarboxylic acid CAS Name: 1-ethyl-2-[[2-furanyl(oxo)methyl]amino]-2-[1-(5-methyl-2-pyridinyl)-1-piperidin-1-iumyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-ethyl-2-(furan-2-carbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]cyclohexane-1-carboxylic acid Traditional Name: 1-ethyl-2-(2-furoylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]cyclohexanecarboxylic acid Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCC1(NC(=O)C2=CC=CO2)[N+]3(CCCCC3)C4=NC=C(C=C4)C)C(=O)O

Isomeric SMILES

CCC1(CCCCC1(NC(=O)C2=CC=CO2)[N+]3(CCCCC3)C4=NC=C(C=C4)C)C(=O)O

InChI

InChI=1S/C25H33N3O4/c1-3-24(23(30)31)13-5-6-14-25(24,27-22(29)20-10-9-17-32-20)28(15-7-4-8-16-28)21-12-11-19(2)18-26-21/h9-12,17-18H,3-8,13-16H2,1-2H3,(H-,27,29,30,31)/p+1