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

Systemtic Name: [(3R,4R)-3-ethyl-1-methyl-4-phenyl-piperidin-1-ium-1-yl] propanoate Openeye Name: [(3R,4R)-3-ethyl-1-methyl-4-phenyl-piperidin-1-ium-1-yl] propanoate CAS Name: propanoic acid [(3R,4R)-3-ethyl-1-methyl-4-phenyl-1-piperidin-1-iumyl] ester IUPAC Name: [(3R,4R)-3-ethyl-1-methyl-4-phenylpiperidin-1-ium-1-yl] propanoate Traditional Name: propionic acid [(3R,4R)-3-ethyl-1-methyl-4-phenyl-piperidin-1-ium-1-yl] ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+](CCC1C2=CC=CC=C2)(C)OC(=O)CC

Isomeric SMILES

CC[C@H]1C[N+](CC[C@H]1C2=CC=CC=C2)(C)OC(=O)CC

InChI

InChI=1S/C17H26NO2/c1-4-14-13-18(3,20-17(19)5-2)12-11-16(14)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3/q+1/t14-,16+,18?/m0/s1