(2,2,6,6-tetramethyl-1-prop-2-ynyl-piperidin-1-ium-1-yl) 4-methoxybenzoate

Systemtic Name: (2,2,6,6-tetramethyl-1-prop-2-ynyl-piperidin-1-ium-1-yl) 4-methoxybenzoate Openeye Name: (2,2,6,6-tetramethyl-1-prop-2-ynyl-piperidin-1-ium-1-yl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid (2,2,6,6-tetramethyl-1-prop-2-ynyl-1-piperidin-1-iumyl) ester IUPAC Name: (2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-1-ium-1-yl) 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (2,2,6,6-tetramethyl-1-propargyl-piperidin-1-ium-1-yl) ester Formula: C20H28NO3+ MolecularWeight: 330.44122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28NO3/c1-7-15-21(19(2,3)13-8-14-20(21,4)5)24-18(22)16-9-11-17(23-6)12-10-16/h1,9-12H,8,13-15H2,2-6H3/q+1