3-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate IUPAC Name: 3-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Formula: C10H16N2O3S2 MolecularWeight: 276.37564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)[N+](=C(S2)N)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)[N+](=C(S2)N)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C10H16N2O3S2/c11-10-12(6-3-7-17(13,14)15)8-4-1-2-5-9(8)16-10/h11H,1-7H2,(H,13,14,15)