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

Systemtic Name: ethyl 4-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-methyl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C3=CC=CC=C3N(C2=S)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C3=CC=CC=C3N(C2=S)C

InChI

InChI=1S/C16H22N4O2S/c1-3-22-16(21)19-10-8-18(9-11-19)12-20-14-7-5-4-6-13(14)17(2)15(20)23/h4-7H,3,8-12H2,1-2H3/p+1