ethyl 4-[[3-(4-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[3-(4-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(4-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(4-methoxyphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methoxyphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[3-(4-methoxyphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O3S/c1-3-25-18(23)20-10-8-19(9-11-20)14-21-12-13-22(17(21)26)15-4-6-16(24-2)7-5-15/h4-7,12-13H,3,8-11,14H2,1-2H3/p+1