(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-methoxybenzoate

Systemtic Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-methoxybenzoate Openeye Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid (1,2,2,6,6-pentamethyl-1-piperidin-1-iumyl) ester IUPAC Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC([N+]1(C)OC(=O)C2=CC=C(C=C2)OC)(C)C)C

Isomeric SMILES

CC1(CCCC([N+]1(C)OC(=O)C2=CC=C(C=C2)OC)(C)C)C

InChI

InChI=1S/C18H28NO3/c1-17(2)12-7-13-18(3,4)19(17,5)22-16(20)14-8-10-15(21-6)11-9-14/h8-11H,7,12-13H2,1-6H3/q+1