2-(1-ethylcyclohexyl)-2-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-(1-ethylcyclohexyl)-2-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(1-ethylcyclohexyl)-2-(furan-2-carbonylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-(1-ethylcyclohexyl)-2-[[2-furanyl(oxo)methyl]amino]-2-[1-(5-methyl-2-pyridinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-(1-ethylcyclohexyl)-2-(furan-2-carbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-(1-ethylcyclohexyl)-2-(2-furoylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]acetic acid Formula: C26H36N3O4+ MolecularWeight: 454.58174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4/c1-3-25(14-6-4-7-15-25)26(24(31)32,28-23(30)21-11-10-18-33-21)29(16-8-5-9-17-29)22-13-12-20(2)19-27-22/h10-13,18-19H,3-9,14-17H2,1-2H3,(H-,28,30,31,32)/p+1