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

Systemtic Name: [3-acetyloxy-3-cyclohexyl-2-ethyl-1-(furan-2-ylcarbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]pentyl] ethanoate Openeye Name: [3-acetoxy-3-cyclohexyl-2-ethyl-1-(furan-2-carbonylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]pentyl] acetate CAS Name: acetic acid [3-acetyloxy-3-cyclohexyl-2-ethyl-1-[[2-furanyl(oxo)methyl]amino]-2-[1-(5-methyl-2-pyridinyl)-1-piperidin-1-iumyl]pentyl] ester IUPAC Name: [3-acetyloxy-3-cyclohexyl-2-ethyl-1-(furan-2-carbonylamino)-2-[1-(5-methylpyridin-2-yl)piperidin-1-ium-1-yl]pentyl] acetate Traditional Name: acetic acid [3-acetoxy-3-cyclohexyl-2-ethyl-1-(2-furoylamino)-2-[1-(5-methyl-2-pyridyl)piperidin-1-ium-1-yl]pentyl] ester Formula: C33H48N3O6+ MolecularWeight: 582.75072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47N3O6/c1-6-32(31(41-25(4)37)35-30(39)28-17-14-22-40-28,33(7-2,42-26(5)38)27-15-10-8-11-16-27)36(20-12-9-13-21-36)29-19-18-24(3)23-34-29/h14,17-19,22-23,27,31H,6-13,15-16,20-21H2,1-5H3/p+1