2-cyclohexyl-2-ethyl-3-(furan-2-ylcarbonylamino)-3-[1-(4-methylphenyl)piperidin-1-ium-1-yl]heptanoic acid

Systemtic Name: 2-cyclohexyl-2-ethyl-3-(furan-2-ylcarbonylamino)-3-[1-(4-methylphenyl)piperidin-1-ium-1-yl]heptanoic acid Openeye Name: 2-cyclohexyl-2-ethyl-3-(furan-2-carbonylamino)-3-[1-(p-tolyl)piperidin-1-ium-1-yl]heptanoic acid CAS Name: 2-cyclohexyl-2-ethyl-3-[[2-furanyl(oxo)methyl]amino]-3-[1-(4-methylphenyl)-1-piperidin-1-iumyl]heptanoic acid IUPAC Name: 2-cyclohexyl-2-ethyl-3-(furan-2-carbonylamino)-3-[1-(4-methylphenyl)piperidin-1-ium-1-yl]heptanoic acid Traditional Name: 2-cyclohexyl-2-ethyl-3-(2-furoylamino)-3-[1-(p-tolyl)piperidin-1-ium-1-yl]enanthic acid Formula: C32H47N2O4+ MolecularWeight: 523.72658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46N2O4/c1-4-6-21-32(33-29(35)28-16-13-24-38-28,31(5-2,30(36)37)26-14-9-7-10-15-26)34(22-11-8-12-23-34)27-19-17-25(3)18-20-27/h13,16-20,24,26H,4-12,14-15,21-23H2,1-3H3,(H-,33,35,36,37)/p+1