1-(2-hexadecylsulfanylpropyl)-3-methyl-imidazol-3-ium

Systemtic Name: 1-(2-hexadecylsulfanylpropyl)-3-methyl-imidazol-3-ium Openeye Name: 1-(2-hexadecylsulfanylpropyl)-3-methyl-imidazol-3-ium CAS Name: 1-[2-(hexadecylthio)propyl]-3-methylimidazol-3-ium IUPAC Name: 1-(2-hexadecylsulfanylpropyl)-3-methylimidazol-3-ium Traditional Name: 1-[2-(cetylthio)propyl]-3-methyl-imidazol-3-ium Formula: C23H45N2S+ MolecularWeight: 381.6818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C)CN1C=C[N+](=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C)CN1C=C[N+](=C1)C

InChI

InChI=1S/C23H45N2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23(2)21-25-19-18-24(3)22-25/h18-19,22-23H,4-17,20-21H2,1-3H3/q+1