1-[1-methyl-3-[2-(4-propylphenyl)ethyl]imidazol-1-ium-2-yl]sulfanylpropan-2-one

Systemtic Name: 1-[1-methyl-3-[2-(4-propylphenyl)ethyl]imidazol-1-ium-2-yl]sulfanylpropan-2-one Openeye Name: 1-[1-methyl-3-[2-(4-propylphenyl)ethyl]imidazol-1-ium-2-yl]sulfanylpropan-2-one CAS Name: 1-[[1-methyl-3-[2-(4-propylphenyl)ethyl]-2-imidazol-1-iumyl]thio]-2-propanone IUPAC Name: 1-[1-methyl-3-[2-(4-propylphenyl)ethyl]imidazol-1-ium-2-yl]sulfanylpropan-2-one Traditional Name: 1-[[1-methyl-3-[2-(4-propylphenyl)ethyl]imidazol-1-ium-2-yl]thio]acetone Formula: C18H25N2OS+ MolecularWeight: 317.4689

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCN2C=C[N+](=C2SCC(=O)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)CCN2C=C[N+](=C2SCC(=O)C)C

InChI

InChI=1S/C18H25N2OS/c1-4-5-16-6-8-17(9-7-16)10-11-20-13-12-19(3)18(20)22-14-15(2)21/h6-9,12-13H,4-5,10-11,14H2,1-3H3/q+1