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

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,2-diphenylpropanoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,2-diphenylpropanoate CAS Name: 2,2-diphenylpropanoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2,2-diphenylpropanoate Traditional Name: 2,2-diphenylpropionic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCC[NH+](C3)C

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O[C@H]3CCC[NH+](C3)C

InChI

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