[(2S,3S,4R)-1,2,3-trimethyl-4-phenyl-piperidin-1-ium-4-yl] propanoate

Systemtic Name: [(2S,3S,4R)-1,2,3-trimethyl-4-phenyl-piperidin-1-ium-4-yl] propanoate Openeye Name: [(2S,3S,4R)-1,2,3-trimethyl-4-phenyl-piperidin-1-ium-4-yl] propanoate CAS Name: propanoic acid [(2S,3S,4R)-1,2,3-trimethyl-4-phenyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2S,3S,4R)-1,2,3-trimethyl-4-phenylpiperidin-1-ium-4-yl] propanoate Traditional Name: propionic acid [(2S,3S,4R)-1,2,3-trimethyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[NH+](C(C1C)C)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-12-18(4)14(3)13(17)2/h6-10,13-14H,5,11-12H2,1-4H3/p+1/t13-,14-,17+/m0/s1