methyl 5-ethyl-2-[2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCO3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCO3)C(=O)OC

InChI

InChI=1S/C19H27N3O5S/c1-3-13-11-14(19(25)26-2)17(28-13)20-16(23)12-21-6-8-22(9-7-21)18(24)15-5-4-10-27-15/h11,15H,3-10,12H2,1-2H3,(H,20,23)/p+1/t15-/m1/s1