sodium; 4-cyclohexylbutyl pyridine-4-carboxylate; ethanol

Systemtic Name: sodium; 4-cyclohexylbutyl pyridine-4-carboxylate; ethanol Openeye Name: sodium; 4-cyclohexylbutyl pyridine-4-carboxylate; ethanol CAS Name: sodium; ethanol; 4-pyridinecarboxylic acid 4-cyclohexylbutyl ester IUPAC Name: sodium; 4-cyclohexylbutyl pyridine-4-carboxylate; ethanol Traditional Name: sodium; ethanol; isonicotinic acid 4-cyclohexylbutyl ester Formula: C18H29NNaO3+ MolecularWeight: 330.41753

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CCC(CC1)CCCCOC(=O)C2=CC=NC=C2.[Na+]

Isomeric SMILES

CCO.C1CCC(CC1)CCCCOC(=O)C2=CC=NC=C2.[Na+]

InChI

InChI=1S/C16H23NO2.C2H6O.Na/c18-16(15-9-11-17-12-10-15)19-13-5-4-8-14-6-2-1-3-7-14;1-2-3;/h9-12,14H,1-8,13H2;3H,2H2,1H3;/q;;+1