2-(1,3-benzothiazol-2-yl)ethyl-[2-(3-carboxy-1,3-thiazolidin-4-yl)-2-oxidanyl-ethyl]-dimethyl-azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-[2-(3-carboxy-1,3-thiazolidin-4-yl)-2-oxidanyl-ethyl]-dimethyl-azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-[2-(3-carboxythiazolidin-4-yl)-2-hydroxy-ethyl]-dimethyl-ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-[2-(3-carboxy-4-thiazolidinyl)-2-hydroxyethyl]-dimethylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-[2-(3-carboxy-1,3-thiazolidin-4-yl)-2-hydroxyethyl]-dimethylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[2-(3-carboxythiazolidin-4-yl)-2-hydroxy-ethyl]-dimethyl-ammonium Formula: C17H24N3O3S2+ MolecularWeight: 382.52076

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=NC2=CC=CC=C2S1)CC(C3CSCN3C(=O)O)O

Isomeric SMILES

C[N+](C)(CCC1=NC2=CC=CC=C2S1)CC(C3CSCN3C(=O)O)O

InChI

InChI=1S/C17H23N3O3S2/c1-20(2,9-14(21)13-10-24-11-19(13)17(22)23)8-7-16-18-12-5-3-4-6-15(12)25-16/h3-6,13-14,21H,7-11H2,1-2H3/p+1