[(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(1R)-1-methyl-1-[2-oxo-2-(2-pyrazinylamino)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-[2-keto-2-(pyrazin-2-ylamino)ethyl]-1-methyl-piperidin-1-ium-3-yl] ester Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=CN=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=CN=C4

InChI

InChI=1S/C25H32N4O4/c1-29(18-23(30)28-22-16-26-13-14-27-22)15-7-12-21(17-29)33-24(31)25(32,20-10-5-6-11-20)19-8-3-2-4-9-19/h2-4,8-9,13-14,16,20-21,32H,5-7,10-12,15,17-18H2,1H3/p+1/t21?,25?,29-/m1/s1