dibutyl-(3-phenylprop-2-ynyl)-(3-sulfopropyl)azanium

Systemtic Name: dibutyl-(3-phenylprop-2-ynyl)-(3-sulfopropyl)azanium Openeye Name: dibutyl-(3-phenylprop-2-ynyl)-(3-sulfopropyl)ammonium CAS Name: dibutyl-(3-phenylprop-2-ynyl)-(3-sulfopropyl)ammonium IUPAC Name: dibutyl-(3-phenylprop-2-ynyl)-(3-sulfopropyl)azanium Traditional Name: dibutyl-(3-phenylprop-2-ynyl)-(3-sulfopropyl)ammonium Formula: C20H32NO3S+ MolecularWeight: 366.53798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCS(=O)(=O)O)CC#CC1=CC=CC=C1

Isomeric SMILES

CCCC[N+](CCCC)(CCCS(=O)(=O)O)CC#CC1=CC=CC=C1

InChI

InChI=1S/C20H31NO3S/c1-3-5-15-21(16-6-4-2,18-11-19-25(22,23)24)17-10-14-20-12-8-7-9-13-20/h7-9,12-13H,3-6,11,15-19H2,1-2H3/p+1