[1-(5-bromanyl-1,3-thiazol-2-yl)-3-hex-4-ynyl-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2-(4-hexoxyphenoxy)ethanoate

Systemtic Name: [1-(5-bromanyl-1,3-thiazol-2-yl)-3-hex-4-ynyl-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2-(4-hexoxyphenoxy)ethanoate Openeye Name: [1-(5-bromothiazol-2-yl)-3-hex-4-ynyl-1-oxido-imidazolidin-1-ium-2-yl] 2-(4-hexoxyphenoxy)acetate CAS Name: 2-(4-hexoxyphenoxy)acetic acid [1-(5-bromo-2-thiazolyl)-3-hex-4-ynyl-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [1-(5-bromo-1,3-thiazol-2-yl)-3-hex-4-ynyl-1-oxidoimidazolidin-1-ium-2-yl] 2-(4-hexoxyphenoxy)acetate Traditional Name: 2-(4-hexoxyphenoxy)acetic acid [1-(5-bromothiazol-2-yl)-3-hex-4-ynyl-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C26H34BrN3O5S MolecularWeight: 580.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OCC(=O)OC2N(CC[N+]2(C3=NC=C(S3)Br)[O-])CCCC#CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OCC(=O)OC2N(CC[N+]2(C3=NC=C(S3)Br)[O-])CCCC#CC

InChI

InChI=1S/C26H34BrN3O5S/c1-3-5-7-9-15-29-16-17-30(32,25-28-19-23(27)36-25)26(29)35-24(31)20-34-22-13-11-21(12-14-22)33-18-10-8-6-4-2/h11-14,19,26H,4,6-10,15-18,20H2,1-2H3