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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(3,4-dichlorophenyl)propanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-(3,4-dichlorophenyl)propanoate CAS Name: 3-(3,4-dichlorophenyl)propanoic 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] 3-(3,4-dichlorophenyl)propanoate Traditional Name: 3-(3,4-dichlorophenyl)propionic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H19Cl2N3O3S MolecularWeight: 452.35416

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)CCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)CCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O3S/c1-24-11-18(28-19(26)9-7-13-6-8-14(21)15(22)10-13)25(27,12-24)20-23-16-4-2-3-5-17(16)29-20/h2-6,8,10,18H,7,9,11-12H2,1H3