2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethyl pyridine-3-carboxylate

Systemtic Name: 2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethyl pyridine-3-carboxylate Openeye Name: 2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethyl ester Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)CCOC(=O)C2=CN=CC=C2)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)CCOC(=O)C2=CN=CC=C2)C

InChI

InChI=1S/C17H26N2O2/c1-16(2)10-13(11-17(3,4)19-16)7-9-21-15(20)14-6-5-8-18-12-14/h5-6,8,12-13,19H,7,9-11H2,1-4H3/p+1