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

Systemtic Name: pyridine-3-carboxylate; trimethyl-(4-oxidanylidene-2-pentadecanoyloxy-4-tridecoxy-butyl)azanium Openeye Name: pyridine-3-carboxylate; trimethyl-(4-oxo-2-pentadecanoyloxy-4-tridecoxy-butyl)ammonium CAS Name: 3-pyridinecarboxylate; trimethyl-[4-oxo-2-(1-oxopentadecoxy)-4-tridecoxybutyl]ammonium IUPAC Name: pyridine-3-carboxylate; trimethyl-(4-oxo-2-pentadecanoyloxy-4-tridecoxybutyl)azanium Traditional Name: (4-keto-2-pentadecanoyloxy-4-tridecoxy-butyl)-trimethyl-ammonium; nicotinate Formula: C41H74N2O6 MolecularWeight: 691.03606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)OC(CC(=O)OCCCCCCCCCCCCC)C[N+](C)(C)C.C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)OC(CC(=O)OCCCCCCCCCCCCC)C[N+](C)(C)C.C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C35H70NO4.C6H5NO2/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-34(37)40-33(32-36(3,4)5)31-35(38)39-30-28-26-24-22-20-17-15-13-11-9-7-2;8-6(9)5-2-1-3-7-4-5/h33H,6-32H2,1-5H3;1-4H,(H,8,9)/q+1;/p-1