ethyl 4-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-methylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-methylsulfonyl-3-[[(2R)-2-oxolanyl]methyl]-4-imidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-mesyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H29N4O5S+ MolecularWeight: 401.50096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CN=C(N2CC3CCCO3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CN=C(N2C[C@H]3CCCO3)S(=O)(=O)C

InChI

InChI=1S/C17H28N4O5S/c1-3-25-17(22)20-8-6-19(7-9-20)12-14-11-18-16(27(2,23)24)21(14)13-15-5-4-10-26-15/h11,15H,3-10,12-13H2,1-2H3/p+1/t15-/m1/s1