[3-(5-chloranyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-pent-4-ynyl-imidazolidin-3-ium-4-yl] hex-5-enoate

Systemtic Name: [3-(5-chloranyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-pent-4-ynyl-imidazolidin-3-ium-4-yl] hex-5-enoate Openeye Name: [3-(5-chlorothiazol-2-yl)-3-oxido-1-pent-4-ynyl-imidazolidin-3-ium-4-yl] hex-5-enoate CAS Name: 5-hexenoic acid [3-(5-chloro-2-thiazolyl)-3-oxido-1-pent-4-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-pent-4-ynylimidazolidin-3-ium-4-yl] hex-5-enoate Traditional Name: hex-5-enoic acid [3-(5-chlorothiazol-2-yl)-3-oxido-1-pent-4-ynyl-imidazolidin-3-ium-4-yl] ester Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O3S/c1-3-5-7-9-16(22)24-15-12-20(10-8-6-4-2)13-21(15,23)17-19-11-14(18)25-17/h2-3,11,15H,1,5-10,12-13H2