(1-dodecyl-1,2,6,6-tetramethyl-piperidin-1-ium-2-yl) 4-chloranylbenzoate

Systemtic Name: (1-dodecyl-1,2,6,6-tetramethyl-piperidin-1-ium-2-yl) 4-chloranylbenzoate Openeye Name: (1-dodecyl-1,2,6,6-tetramethyl-piperidin-1-ium-2-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (1-dodecyl-1,2,6,6-tetramethyl-2-piperidin-1-iumyl) ester IUPAC Name: (1-dodecyl-1,2,6,6-tetramethylpiperidin-1-ium-2-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (1-lauryl-1,2,6,6-tetramethyl-piperidin-1-ium-2-yl) ester Formula: C28H47ClNO2+ MolecularWeight: 465.13128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(C(CCCC1(C)OC(=O)C2=CC=C(C=C2)Cl)(C)C)C

Isomeric SMILES

CCCCCCCCCCCC[N+]1(C(CCCC1(C)OC(=O)C2=CC=C(C=C2)Cl)(C)C)C

InChI

InChI=1S/C28H47ClNO2/c1-6-7-8-9-10-11-12-13-14-15-23-30(5)27(2,3)21-16-22-28(30,4)32-26(31)24-17-19-25(29)20-18-24/h17-20H,6-16,21-23H2,1-5H3/q+1