ethyl 2,6-dimethyl-4-(piperidin-1-ium-1-ylmethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-4-(piperidin-1-ium-1-ylmethyl)pyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-4-(piperidin-1-ium-1-ylmethyl)pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(1-piperidin-1-iumylmethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-4-(piperidin-1-ium-1-ylmethyl)pyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(piperidin-1-ium-1-ylmethyl)nicotinic acid ethyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C[NH+]2CCCCC2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C[NH+]2CCCCC2)C)C

InChI

InChI=1S/C16H24N2O2/c1-4-20-16(19)15-13(3)17-12(2)10-14(15)11-18-8-6-5-7-9-18/h10H,4-9,11H2,1-3H3/p+1