[3-oxidanidyl-1-pentyl-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(4-hexylphenoxy)ethanoate

Systemtic Name: [3-oxidanidyl-1-pentyl-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(4-hexylphenoxy)ethanoate Openeye Name: [3-oxido-1-pentyl-3-(5-pentylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(4-hexylphenoxy)acetate CAS Name: 2-(4-hexylphenoxy)acetic acid [3-oxido-1-pentyl-3-(5-pentylsulfonyl-2-thiazolyl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-pentyl-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(4-hexylphenoxy)acetate Traditional Name: 2-(4-hexylphenoxy)acetic acid [1-amyl-3-(5-amylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C30H47N3O6S2 MolecularWeight: 609.84068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCCCC)[O-])CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CCCCC)[O-])CCCCC

InChI

InChI=1S/C30H47N3O6S2/c1-4-7-10-11-14-25-15-17-26(18-16-25)38-23-28(34)39-27-22-32(19-12-8-5-2)24-33(27,35)30-31-21-29(40-30)41(36,37)20-13-9-6-3/h15-18,21,27H,4-14,19-20,22-24H2,1-3H3