[1-hexyl-3-(5-hexylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(3-prop-2-enylphenoxy)ethanoate

Systemtic Name: [1-hexyl-3-(5-hexylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(3-prop-2-enylphenoxy)ethanoate Openeye Name: [1-hexyl-3-(5-hexylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(3-allylphenoxy)acetate CAS Name: 2-(3-prop-2-enylphenoxy)acetic acid [1-hexyl-3-(5-hexylsulfonyl-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-hexyl-3-(5-hexylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 2-(3-prop-2-enylphenoxy)acetate Traditional Name: 2-(3-allylphenoxy)acetic acid [1-hexyl-3-(5-hexylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C29H43N3O6S2 MolecularWeight: 593.79822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CCCCCC)[O-])OC(=O)COC3=CC=CC(=C3)CC=C

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CCCCCC)[O-])OC(=O)COC3=CC=CC(=C3)CC=C

InChI

InChI=1S/C29H43N3O6S2/c1-4-7-9-11-17-31-21-26(38-27(33)22-37-25-16-13-15-24(19-25)14-6-3)32(34,23-31)29-30-20-28(39-29)40(35,36)18-12-10-8-5-2/h6,13,15-16,19-20,26H,3-5,7-12,14,17-18,21-23H2,1-2H3