[1-butyl-3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-butylphenoxy)ethanoate

Systemtic Name: [1-butyl-3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-butylphenoxy)ethanoate Openeye Name: [1-butyl-3-(5-butylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-butylphenoxy)acetate CAS Name: 2-(4-butylphenoxy)acetic acid [1-butyl-3-(5-butylsulfonyl-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-butyl-3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 2-(4-butylphenoxy)acetate Traditional Name: 2-(4-butylphenoxy)acetic acid [1-butyl-3-(5-butylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C26H39N3O6S2 MolecularWeight: 553.73436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCCC)[O-])CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCCC)[O-])CCCC

InChI

InChI=1S/C26H39N3O6S2/c1-4-7-10-21-11-13-22(14-12-21)34-19-24(30)35-23-18-28(15-8-5-2)20-29(23,31)26-27-17-25(36-26)37(32,33)16-9-6-3/h11-14,17,23H,4-10,15-16,18-20H2,1-3H3