[(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 4-methoxybenzoate

Systemtic Name: [(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 4-methoxybenzoate Openeye Name: [(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S,4R,5S)-1,2,5-trimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-11-10-17(3)12(2)9-15(11)20-16(18)13-5-7-14(19-4)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3/p+1/t11-,12-,15+/m0/s1