[1-methyl-3-oxidanidyl-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ethanoate

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ethanoate Openeye Name: [3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] acetate CAS Name: acetic acid [1-methyl-3-oxido-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] acetate Traditional Name: acetic acid [3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C[N+]1(C2=NN=C(S2)CC=C)[O-])C

Isomeric SMILES

CC(=O)OC1CN(C[N+]1(C2=NN=C(S2)CC=C)[O-])C

InChI

InChI=1S/C11H16N4O3S/c1-4-5-9-12-13-11(19-9)15(17)7-14(3)6-10(15)18-8(2)16/h4,10H,1,5-7H2,2-3H3