[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-dimethoxybenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-dimethoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic 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] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=C(C=CC=C4OC)OC

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=C(C=CC=C4OC)OC

InChI

InChI=1S/C20H21N3O5S/c1-22-11-17(28-19(24)18-14(26-2)8-6-9-15(18)27-3)23(25,12-22)20-21-13-7-4-5-10-16(13)29-20/h4-10,17H,11-12H2,1-3H3