[(3R,4R)-3-methyl-4-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl] propanoate

Systemtic Name: [(3R,4R)-3-methyl-4-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl] propanoate Openeye Name: [(3R,4R)-1-benzyl-3-methyl-4-phenyl-piperidin-1-ium-4-yl] propanoate CAS Name: propanoic acid [(3R,4R)-3-methyl-4-phenyl-1-(phenylmethyl)-4-piperidin-1-iumyl] ester IUPAC Name: [(3R,4R)-1-benzyl-3-methyl-4-phenylpiperidin-1-ium-4-yl] propanoate Traditional Name: propionic acid [(3R,4R)-1-benzyl-3-methyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[NH+](CC1C)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)O[C@@]1(CC[NH+](C[C@H]1C)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-3-21(24)25-22(20-12-8-5-9-13-20)14-15-23(16-18(22)2)17-19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3/p+1/t18-,22-/m1/s1