[(3R)-1-methylpiperidin-1-ium-3-yl] 4-tert-butylbenzoate

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 4-tert-butylbenzoate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2CCC[NH+](C2)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O[C@@H]2CCC[NH+](C2)C

InChI

InChI=1S/C17H25NO2/c1-17(2,3)14-9-7-13(8-10-14)16(19)20-15-6-5-11-18(4)12-15/h7-10,15H,5-6,11-12H2,1-4H3/p+1/t15-/m1/s1