(2,4-dimethylphenyl)-tripropyl-azanium; hexanoate

Systemtic Name: (2,4-dimethylphenyl)-tripropyl-azanium; hexanoate Openeye Name: (2,4-dimethylphenyl)-tripropyl-ammonium; hexanoate CAS Name: (2,4-dimethylphenyl)-tripropylammonium; hexanoate IUPAC Name: (2,4-dimethylphenyl)-tripropylazanium; hexanoate Traditional Name: (2,4-dimethylphenyl)-tripropyl-ammonium; hexanoate Formula: C23H41NO2 MolecularWeight: 363.57714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N.C6H12O2/c1-6-11-18(12-7-2,13-8-3)17-10-9-15(4)14-16(17)5;1-2-3-4-5-6(7)8/h9-10,14H,6-8,11-13H2,1-5H3;2-5H2,1H3,(H,7,8)/q+1;/p-1