1-[4-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=CN(C3=S)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=CN(C3=S)C

InChI

InChI=1S/C17H22N4OS/c1-14(22)15-3-5-16(6-4-15)20-11-8-19(9-12-20)13-21-10-7-18(2)17(21)23/h3-7,10H,8-9,11-13H2,1-2H3/p+1