2-[4-[[3-(3-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[[3-(3-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[[3-(3-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[3-(3-methoxyphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazine-1,4-diiumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[[3-(3-methoxyphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[[3-(3-methoxyphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazine-1,4-diium-1-yl]-N,N-dimethyl-acetamide Formula: C19H29N5O2S+2 MolecularWeight: 391.53086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC(=CC=C3)OC

Isomeric SMILES

CN(C)C(=O)C[NH+]1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H27N5O2S/c1-20(2)18(25)14-21-7-9-22(10-8-21)15-23-11-12-24(19(23)27)16-5-4-6-17(13-16)26-3/h4-6,11-13H,7-10,14-15H2,1-3H3/p+2