[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] acetate CAS Name: acetic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] acetate Traditional Name: acetic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C[N+]1(C2=NC3=CC=CC=C3S2)[O-])C

Isomeric SMILES

CC(=O)OC1CN(C[N+]1(C2=NC3=CC=CC=C3S2)[O-])C

InChI

InChI=1S/C13H15N3O3S/c1-9(17)19-12-7-15(2)8-16(12,18)13-14-10-5-3-4-6-11(10)20-13/h3-6,12H,7-8H2,1-2H3