[2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]-dimethyl-(3-oxidanylpropyl)azanium

Systemtic Name: [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]-dimethyl-(3-oxidanylpropyl)azanium Openeye Name: [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]-(3-hydroxypropyl)-dimethyl-ammonium CAS Name: [2-[(hexadecylthio)methyl]-3-methoxypropyl]-(3-hydroxypropyl)-dimethylammonium IUPAC Name: [2-(hexadecylsulfanylmethyl)-3-methoxypropyl]-(3-hydroxypropyl)-dimethylazanium Traditional Name: [2-[(cetylthio)methyl]-3-methoxy-propyl]-(3-hydroxypropyl)-dimethyl-ammonium Formula: C26H56NO2S+ MolecularWeight: 446.79334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCCO)COC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCCO)COC

InChI

InChI=1S/C26H56NO2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-30-25-26(24-29-4)23-27(2,3)20-19-21-28/h26,28H,5-25H2,1-4H3/q+1