tetrahexylazanium benzoate

Systemtic Name: tetrahexylazanium benzoate Openeye Name: tetrahexylammonium benzoate CAS Name: tetrahexylammonium benzoate IUPAC Name: tetrahexylazanium benzoate Traditional Name: tetrahexylammonium benzoate Formula: C31H57NO2 MolecularWeight: 475.78978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C24H52N.C7H6O2/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;8-7(9)6-4-2-1-3-5-6/h5-24H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1