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

Systemtic Name: [(1R)-1-methyl-1-(3-pyrazin-2-ylpropyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-(3-pyrazin-2-ylpropyl)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-[3-(2-pyrazinyl)propyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(3-pyrazin-2-ylpropyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-methyl-1-(3-pyrazin-2-ylpropyl)piperidin-1-ium-3-yl] ester Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCC4=NC=CN=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCC4=NC=CN=C4

InChI

InChI=1S/C26H36N3O3/c1-29(17-7-13-23-19-27-15-16-28-23)18-8-14-24(20-29)32-25(30)26(31,22-11-5-6-12-22)21-9-3-2-4-10-21/h2-4,9-10,15-16,19,22,24,31H,5-8,11-14,17-18,20H2,1H3/q+1/t24?,26?,29-/m1/s1