4-cyclohexyl-2-ethoxy-5-ethyl-6-[2-(furan-2-ylcarbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-cyclohexyl-2-ethoxy-5-ethyl-6-[2-(furan-2-ylcarbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-cyclohexyl-2-ethoxy-5-ethyl-6-[2-(furan-2-carbonylamino)-1-(p-tolyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 4-cyclohexyl-2-ethoxy-5-ethyl-6-[2-[[2-furanyl(oxo)methyl]amino]-1-(4-methylphenyl)-1-piperidin-1-iumyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-cyclohexyl-2-ethoxy-5-ethyl-6-[2-(furan-2-carbonylamino)-1-(4-methylphenyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 4-cyclohexyl-2-ethoxy-5-ethyl-6-[2-(2-furoylamino)-1-(p-tolyl)piperidin-1-ium-1-yl]isophthalic acid Formula: C35H43N2O7+ MolecularWeight: 603.72512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1C2CCCCC2)C(=O)O)OCC)C(=O)O)[N+]3(CCCCC3NC(=O)C4=CC=CO4)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(C(=C(C(=C1C2CCCCC2)C(=O)O)OCC)C(=O)O)[N+]3(CCCCC3NC(=O)C4=CC=CO4)C5=CC=C(C=C5)C

InChI

InChI=1S/C35H42N2O7/c1-4-25-28(23-12-7-6-8-13-23)29(34(39)40)32(43-5-2)30(35(41)42)31(25)37(24-18-16-22(3)17-19-24)20-10-9-15-27(37)36-33(38)26-14-11-21-44-26/h11,14,16-19,21,23,27H,4-10,12-13,15,20H2,1-3H3,(H2-,36,38,39,40,41,42)/p+1