sodium; 2-cyclohexylethyl pyridine-3-carboxylate; ethanol

Systemtic Name: sodium; 2-cyclohexylethyl pyridine-3-carboxylate; ethanol Openeye Name: sodium; 2-cyclohexylethyl pyridine-3-carboxylate; ethanol CAS Name: sodium; ethanol; 3-pyridinecarboxylic acid 2-cyclohexylethyl ester IUPAC Name: sodium; 2-cyclohexylethyl pyridine-3-carboxylate; ethanol Traditional Name: sodium; ethanol; nicotinic acid 2-cyclohexylethyl ester Formula: C16H25NNaO3+ MolecularWeight: 302.36437

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CCC(CC1)CCOC(=O)C2=CN=CC=C2.[Na+]

Isomeric SMILES

CCO.C1CCC(CC1)CCOC(=O)C2=CN=CC=C2.[Na+]

InChI

InChI=1S/C14H19NO2.C2H6O.Na/c16-14(13-7-4-9-15-11-13)17-10-8-12-5-2-1-3-6-12;1-2-3;/h4,7,9,11-12H,1-3,5-6,8,10H2;3H,2H2,1H3;/q;;+1