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

Systemtic Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-chloranylbenzoate Openeye Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) ester Formula: C17H25ClNO2+ MolecularWeight: 310.8389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClNO2/c1-16(2)11-6-12-17(3,4)19(16,5)21-15(20)13-7-9-14(18)10-8-13/h7-10H,6,11-12H2,1-5H3/q+1