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

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,2-diphenylethanoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2/c1-21-14-8-13-18(15-21)23-20(22)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3/p+1/t18-/m0/s1