[2-tert-butyl-4-cyclohexyl-6-(piperidin-1-ium-1-ylmethyl)phenyl] pyridine-3-carboxylate

Systemtic Name: [2-tert-butyl-4-cyclohexyl-6-(piperidin-1-ium-1-ylmethyl)phenyl] pyridine-3-carboxylate Openeye Name: [2-tert-butyl-4-cyclohexyl-6-(piperidin-1-ium-1-ylmethyl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-tert-butyl-4-cyclohexyl-6-(1-piperidin-1-iumylmethyl)phenyl] ester IUPAC Name: [2-tert-butyl-4-cyclohexyl-6-(piperidin-1-ium-1-ylmethyl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-tert-butyl-4-cyclohexyl-6-(piperidin-1-ium-1-ylmethyl)phenyl] ester Formula: C28H39N2O2+ MolecularWeight: 435.62146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=CN=CC=C2)C[NH+]3CCCCC3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=CN=CC=C2)C[NH+]3CCCCC3)C4CCCCC4

InChI

InChI=1S/C28H38N2O2/c1-28(2,3)25-18-23(21-11-6-4-7-12-21)17-24(20-30-15-8-5-9-16-30)26(25)32-27(31)22-13-10-14-29-19-22/h10,13-14,17-19,21H,4-9,11-12,15-16,20H2,1-3H3/p+1