hexadecyl(tripropyl)azanium; pyridine-2-carboxylate

Systemtic Name: hexadecyl(tripropyl)azanium; pyridine-2-carboxylate Openeye Name: hexadecyl(tripropyl)ammonium; pyridine-2-carboxylate CAS Name: hexadecyl(tripropyl)ammonium; 2-pyridinecarboxylate IUPAC Name: hexadecyl(tripropyl)azanium; pyridine-2-carboxylate Traditional Name: cetyl(tripropyl)ammonium; picolinate Formula: C31H58N2O2 MolecularWeight: 490.80442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCC)(CCC)CCC.C1=CC=NC(=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCC)(CCC)CCC.C1=CC=NC(=C1)C(=O)[O-]

InChI

InChI=1S/C25H54N.C6H5NO2/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22-6-2,23-7-3)24-8-4;8-6(9)5-3-1-2-4-7-5/h5-25H2,1-4H3;1-4H,(H,8,9)/q+1;/p-1