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

Systemtic Name: ethyl 4-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-ethylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-esyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H29N4O5S+ MolecularWeight: 389.49026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CN=C(N2CCOC)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CN=C(N2CCOC)S(=O)(=O)CC

InChI

InChI=1S/C16H28N4O5S/c1-4-25-16(21)19-8-6-18(7-9-19)13-14-12-17-15(26(22,23)5-2)20(14)10-11-24-3/h12H,4-11,13H2,1-3H3/p+1