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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCC1(C2=CC=CC=C2)OC(=O)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3/p+1/t14-,17-/m0/s1