[(3S)-1-ethylpiperidin-1-ium-3-yl] 2,2-diphenylethanoate

Systemtic Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 2,2-diphenylethanoate Openeye Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [(3S)-1-ethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [(3S)-1-ethylpiperidin-1-ium-3-yl] ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3/p+1/t19-/m0/s1