methanesulfonate; 4-(4-nitrophenyl)butyl-dipentyl-azanium

Systemtic Name: methanesulfonate; 4-(4-nitrophenyl)butyl-dipentyl-azanium Openeye Name: methanesulfonate; 4-(4-nitrophenyl)butyl-dipentyl-ammonium CAS Name: methanesulfonate; 4-(4-nitrophenyl)butyl-dipentylammonium IUPAC Name: methanesulfonate; 4-(4-nitrophenyl)butyl-dipentylazanium Traditional Name: diamyl-[4-(4-nitrophenyl)butyl]ammonium mesylate Formula: C21H38N2O5S MolecularWeight: 430.60182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C20H34N2O2.CH4O3S/c1-3-5-8-16-21(17-9-6-4-2)18-10-7-11-19-12-14-20(15-13-19)22(23)24;1-5(2,3)4/h12-15H,3-11,16-18H2,1-2H3;1H3,(H,2,3,4)