pyridine-3-carboxylate; trimethyl-(4-oxidanylidene-2-tridecanoyloxy-4-tridecoxy-butyl)azanium

Systemtic Name: pyridine-3-carboxylate; trimethyl-(4-oxidanylidene-2-tridecanoyloxy-4-tridecoxy-butyl)azanium Openeye Name: pyridine-3-carboxylate; trimethyl-(4-oxo-2-tridecanoyloxy-4-tridecoxy-butyl)ammonium CAS Name: 3-pyridinecarboxylate; trimethyl-[4-oxo-2-(1-oxotridecoxy)-4-tridecoxybutyl]ammonium IUPAC Name: pyridine-3-carboxylate; trimethyl-(4-oxo-2-tridecanoyloxy-4-tridecoxybutyl)azanium Traditional Name: (4-keto-2-tridecanoyloxy-4-tridecoxy-butyl)-trimethyl-ammonium; nicotinate Formula: C39H70N2O6 MolecularWeight: 662.9829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCC.C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCC.C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C33H66NO4.C6H5NO2/c1-6-8-10-12-14-16-18-20-22-24-26-28-37-33(36)29-31(30-34(3,4)5)38-32(35)27-25-23-21-19-17-15-13-11-9-7-2;8-6(9)5-2-1-3-7-4-5/h31H,6-30H2,1-5H3;1-4H,(H,8,9)/q+1;/p-1