[4-(4-methylphenyl)cyclohexyl] 2-[1-(furan-2-ylcarbonylamino)piperidin-1-ium-1-yl]butanoate

Systemtic Name: [4-(4-methylphenyl)cyclohexyl] 2-[1-(furan-2-ylcarbonylamino)piperidin-1-ium-1-yl]butanoate Openeye Name: [4-(p-tolyl)cyclohexyl] 2-[1-(furan-2-carbonylamino)piperidin-1-ium-1-yl]butanoate CAS Name: 2-[1-[[2-furanyl(oxo)methyl]amino]-1-piperidin-1-iumyl]butanoic acid [4-(4-methylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-methylphenyl)cyclohexyl] 2-[1-(furan-2-carbonylamino)piperidin-1-ium-1-yl]butanoate Traditional Name: 2-[1-(2-furoylamino)piperidin-1-ium-1-yl]butyric acid [4-(p-tolyl)cyclohexyl] ester Formula: C27H37N2O4+ MolecularWeight: 453.59368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CCC(CC1)C2=CC=C(C=C2)C)[N+]3(CCCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CCC(C(=O)OC1CCC(CC1)C2=CC=C(C=C2)C)[N+]3(CCCCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H36N2O4/c1-3-24(29(17-5-4-6-18-29)28-26(30)25-8-7-19-32-25)27(31)33-23-15-13-22(14-16-23)21-11-9-20(2)10-12-21/h7-12,19,22-24H,3-6,13-18H2,1-2H3/p+1