2-cyclohexyl-2-ethyl-3-(furan-2-ylcarbonylamino)-3-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]heptanoic acid

Systemtic Name: 2-cyclohexyl-2-ethyl-3-(furan-2-ylcarbonylamino)-3-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]heptanoic acid Openeye Name: 2-cyclohexyl-2-ethyl-3-(furan-2-carbonylamino)-3-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]heptanoic acid CAS Name: 2-cyclohexyl-2-ethyl-3-[[2-furanyl(oxo)methyl]amino]-3-[1-(5-methyl-2-pyridinyl)-1-piperidin-1-iumyl]heptanoic acid IUPAC Name: 2-cyclohexyl-2-ethyl-3-(furan-2-carbonylamino)-3-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]heptanoic acid Traditional Name: 2-cyclohexyl-2-ethyl-3-(2-furoylamino)-3-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]enanthic acid Formula: C31H46N3O4+ MolecularWeight: 524.71464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45N3O4/c1-4-6-19-31(33-28(35)26-16-13-22-38-26,30(5-2,29(36)37)25-14-9-7-10-15-25)34(20-11-8-12-21-34)27-18-17-24(3)23-32-27/h13,16-18,22-23,25H,4-12,14-15,19-21H2,1-3H3,(H-,33,35,36,37)/p+1