cyclohexyl 2-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2(CCCCC2)C(C)(C(=O)OC3CCCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2(CCCCC2)C(C)(C(=O)OC3CCCCC3)NC(=O)C4=CC=CO4

InChI

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