[1-butyl-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pentanoate

Systemtic Name: [1-butyl-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pentanoate Openeye Name: [1-butyl-3-(5-methylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] pentanoate CAS Name: pentanoic acid [1-butyl-3-(5-methylsulfonyl-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-butyl-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] pentanoate Traditional Name: valeric acid [1-butyl-3-(5-mesylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H27N3O5S2 MolecularWeight: 405.53268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1CN(C[N+]1(C2=NC=C(S2)S(=O)(=O)C)[O-])CCCC

Isomeric SMILES

CCCCC(=O)OC1CN(C[N+]1(C2=NC=C(S2)S(=O)(=O)C)[O-])CCCC

InChI

InChI=1S/C16H27N3O5S2/c1-4-6-8-14(20)24-13-11-18(9-7-5-2)12-19(13,21)16-17-10-15(25-16)26(3,22)23/h10,13H,4-9,11-12H2,1-3H3