[4-acetyloxy-4-cyclohexyl-3-ethyl-2-(furan-2-ylcarbonylamino)-3-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]hexyl] ethanoate

Systemtic Name: [4-acetyloxy-4-cyclohexyl-3-ethyl-2-(furan-2-ylcarbonylamino)-3-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]hexyl] ethanoate Openeye Name: [4-acetoxy-4-cyclohexyl-3-ethyl-2-(furan-2-carbonylamino)-3-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]hexyl] acetate CAS Name: acetic acid [4-acetyloxy-4-cyclohexyl-3-ethyl-2-[[2-furanyl(oxo)methyl]amino]-3-[1-(5-methyl-2-pyridinyl)-1-piperidin-1-iumyl]hexyl] ester IUPAC Name: [4-acetyloxy-4-cyclohexyl-3-ethyl-2-(furan-2-carbonylamino)-3-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]hexyl] acetate Traditional Name: acetic acid [4-acetoxy-4-cyclohexyl-3-ethyl-2-(2-furoylamino)-3-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]hexyl] ester Formula: C34H50N3O6+ MolecularWeight: 596.7773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H49N3O6/c1-6-33(34(7-2,43-27(5)39)28-15-10-8-11-16-28,30(24-42-26(4)38)36-32(40)29-17-14-22-41-29)37(20-12-9-13-21-37)31-19-18-25(3)23-35-31/h14,17-19,22-23,28,30H,6-13,15-16,20-21,24H2,1-5H3/p+1