2-cyclohexyl-2-[1-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butan-2-yl]propanedioic acid

Systemtic Name: 2-cyclohexyl-2-[1-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butan-2-yl]propanedioic acid Openeye Name: 2-cyclohexyl-2-[1-[(furan-2-carbonylamino)methyl]-1-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]propyl]propanedioic acid CAS Name: 2-cyclohexyl-2-[1-[[2-furanyl(oxo)methyl]amino]-2-[1-(5-methyl-2-pyridinyl)-1-piperidin-1-iumyl]butan-2-yl]propanedioic acid IUPAC Name: 2-cyclohexyl-2-[1-(furan-2-carbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]butan-2-yl]propanedioic acid Traditional Name: 2-cyclohexyl-2-[1-[(2-furoylamino)methyl]-1-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]propyl]malonic acid Formula: C29H40N3O6+ MolecularWeight: 526.6444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=CO1)(C(C2CCCCC2)(C(=O)O)C(=O)O)[N+]3(CCCCC3)C4=NC=C(C=C4)C

Isomeric SMILES

CCC(CNC(=O)C1=CC=CO1)(C(C2CCCCC2)(C(=O)O)C(=O)O)[N+]3(CCCCC3)C4=NC=C(C=C4)C

InChI

InChI=1S/C29H39N3O6/c1-3-28(20-31-25(33)23-13-10-18-38-23,29(26(34)35,27(36)37)22-11-6-4-7-12-22)32(16-8-5-9-17-32)24-15-14-21(2)19-30-24/h10,13-15,18-19,22H,3-9,11-12,16-17,20H2,1-2H3,(H2-,31,33,34,35,36,37)/p+1