2,3-bis(oxidanyl)propyl-(3-hexadecylsulfanyl-2-methoxy-propyl)-dimethyl-azanium

Systemtic Name: 2,3-bis(oxidanyl)propyl-(3-hexadecylsulfanyl-2-methoxy-propyl)-dimethyl-azanium Openeye Name: 2,3-dihydroxypropyl-(3-hexadecylsulfanyl-2-methoxy-propyl)-dimethyl-ammonium CAS Name: 2,3-dihydroxypropyl-[3-(hexadecylthio)-2-methoxypropyl]-dimethylammonium IUPAC Name: 2,3-dihydroxypropyl-(3-hexadecylsulfanyl-2-methoxypropyl)-dimethylazanium Traditional Name: [3-(cetylthio)-2-methoxy-propyl]-glyceryl-dimethyl-ammonium Formula: C25H54NO3S+ MolecularWeight: 448.76616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CC(CO)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CC(CO)O)OC

InChI

InChI=1S/C25H54NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-23-25(29-4)21-26(2,3)20-24(28)22-27/h24-25,27-28H,5-23H2,1-4H3/q+1