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

Systemtic Name: [2-tert-butyl-4-cyclohexyl-6-(morpholin-4-ium-4-ylmethyl)phenyl] pyridine-3-carboxylate Openeye Name: [2-tert-butyl-4-cyclohexyl-6-(morpholin-4-ium-4-ylmethyl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-tert-butyl-4-cyclohexyl-6-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [2-tert-butyl-4-cyclohexyl-6-(morpholin-4-ium-4-ylmethyl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-tert-butyl-4-cyclohexyl-6-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=CN=CC=C2)C[NH+]3CCOCC3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=CN=CC=C2)C[NH+]3CCOCC3)C4CCCCC4

InChI

InChI=1S/C27H36N2O3/c1-27(2,3)24-17-22(20-8-5-4-6-9-20)16-23(19-29-12-14-31-15-13-29)25(24)32-26(30)21-10-7-11-28-18-21/h7,10-11,16-18,20H,4-6,8-9,12-15,19H2,1-3H3/p+1