3-(2-hexadecylsulfanylpropyl)-1,3-thiazol-3-ium

Systemtic Name: 3-(2-hexadecylsulfanylpropyl)-1,3-thiazol-3-ium Openeye Name: 3-(2-hexadecylsulfanylpropyl)thiazol-3-ium CAS Name: 3-[2-(hexadecylthio)propyl]thiazol-3-ium IUPAC Name: 3-(2-hexadecylsulfanylpropyl)-1,3-thiazol-3-ium Traditional Name: 3-[2-(cetylthio)propyl]thiazol-3-ium Formula: C22H42NS2+ MolecularWeight: 384.70558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C)C[N+]1=CSC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C)C[N+]1=CSC=C1

InChI

InChI=1S/C22H42NS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25-22(2)20-23-17-19-24-21-23/h17,19,21-22H,3-16,18,20H2,1-2H3/q+1