dimethyl-(3-sulfopropyl)-triacontyl-azanium

Systemtic Name: dimethyl-(3-sulfopropyl)-triacontyl-azanium Openeye Name: dimethyl-(3-sulfopropyl)-triacontyl-ammonium CAS Name: dimethyl-(3-sulfopropyl)-triacontylammonium IUPAC Name: dimethyl-(3-sulfopropyl)-triacontylazanium Traditional Name: melissyl-dimethyl-(3-sulfopropyl)ammonium Formula: C35H74NO3S+ MolecularWeight: 589.03196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O

InChI

InChI=1S/C35H73NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-36(2,3)34-32-35-40(37,38)39/h4-35H2,1-3H3/p+1