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

Systemtic Name: [(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic 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-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(1R)-1-[2-keto-2-(pyrazin-2-ylamino)ethyl]-1-methyl-piperidin-1-ium-3-yl] ester Formula: C26H29N4O4+ MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=CN=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=CN=C4

InChI

InChI=1S/C26H28N4O4/c1-30(19-24(31)29-23-17-27-14-15-28-23)16-8-13-22(18-30)34-25(32)26(33,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,17,22,33H,8,13,16,18-19H2,1H3/p+1/t22?,30-/m1/s1